PubChemLite - Craviten (C32H48N2O10)

Structural Information

Molecular Formula

SMILES

CC[C@@H](COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)N(C)CCN(C)[C@@H](CC)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C32H48N2O10/c1-11-23(19-43-31(35)21-15-25(37-5)29(41-9)26(16-21)38-6)33(3)13-14-34(4)24(12-2)20-44-32(36)22-17-27(39-7)30(42-10)28(18-22)40-8/h15-18,23-24H,11-14,19-20H2,1-10H3/t23-,24-/m0/s1

InChIKey

ZKSIPEYIAHUPNM-ZEQRLZLVSA-N

Compound name

[(2S)-2-[methyl-[2-[methyl-[(2S)-1-(3,4,5-trimethoxybenzoyl)oxybutan-2-yl]amino]ethyl]amino]butyl] 3,4,5-trimethoxybenzoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	621.33818	250.4
[M+Na]+	643.32012	257.7
[M-H]-	619.32362	250.4
[M+NH4]+	638.36472	261.8
[M+K]+	659.29406	254.9
[M+H-H2O]+	603.32816	238.6
[M+HCOO]-	665.32910	253.9
[M+CH3COO]-	679.34475	279.2
[M+Na-2H]-	641.30557	241.7
[M]+	620.33035	245.1
[M]-	620.33145	245.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

621.33818

250.4

[M+Na]+

643.32012

257.7

[M-H]-

619.32362

250.4

[M+NH4]+

638.36472

261.8

[M+K]+

659.29406

254.9

[M+H-H2O]+

603.32816

238.6

[M+HCOO]-

665.32910

253.9

[M+CH3COO]-

679.34475

279.2

[M+Na-2H]-

641.30557

241.7

[M]+

620.33035

245.1

[M]-

620.33145

245.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Craviten

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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