PubChemLite - 102584-94-1 (C25H37NO7)

Structural Information

Molecular Formula

SMILES

CCCC(C(=O)OCCN1CCCCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC

InChI

InChI=1S/C25H37NO7/c1-4-8-19(25(28)31-14-12-26-10-6-5-7-11-26)33-21-17-9-13-30-22(17)24(29-3)23-20(21)18(27)15-16(2)32-23/h9,13,15,17,19-24H,4-8,10-12,14H2,1-3H3

InChIKey

MMBZVPORHHPSQD-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]pentanoate

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]+	464.26428	212.7
[M+Na]+	486.24622	213.4
[M-H]-	462.24972	218.2
[M+NH4]+	481.29082	219.9
[M+K]+	502.22016	213.4
[M+H-H2O]+	446.25426	204.0
[M+HCOO]-	508.25520	219.4
[M+CH3COO]-	522.27085	236.4
[M+Na-2H]-	484.23167	207.6
[M]+	463.25645	214.5
[M]-	463.25755	214.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.26428

212.7

[M+Na]+

486.24622

213.4

[M-H]-

462.24972

218.2

[M+NH4]+

481.29082

219.9

[M+K]+

502.22016

213.4

[M+H-H2O]+

446.25426

204.0

[M+HCOO]-

508.25520

219.4

[M+CH3COO]-

522.27085

236.4

[M+Na-2H]-

484.23167

207.6

[M]+

463.25645

214.5

[M]-

463.25755

214.5

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

102584-94-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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