PubChemLite - 1044814-10-9 (C25H32N2O6)

Structural Information

Molecular Formula

SMILES

CC1CC=CCCC=CC(=NOCC(=O)N2CCCCC2)CC3=C(C(=CC(=C3)O)O)C(=O)O1

InChI

InChI=1S/C25H32N2O6/c1-18-10-6-3-2-4-7-11-20(26-32-17-23(30)27-12-8-5-9-13-27)14-19-15-21(28)16-22(29)24(19)25(31)33-18/h3,6-7,11,15-16,18,28-29H,2,4-5,8-10,12-14,17H2,1H3

InChIKey

VZVRACFMIZZMJB-UHFFFAOYSA-N

Compound name

16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one

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]+	457.23332	206.8
[M+Na]+	479.21526	208.4
[M-H]-	455.21876	209.3
[M+NH4]+	474.25986	209.0
[M+K]+	495.18920	206.6
[M+H-H2O]+	439.22330	200.4
[M+HCOO]-	501.22424	216.9
[M+CH3COO]-	515.23989	226.1
[M+Na-2H]-	477.20071	204.3
[M]+	456.22549	199.5
[M]-	456.22659	199.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.23332

206.8

[M+Na]+

479.21526

208.4

[M-H]-

455.21876

209.3

[M+NH4]+

474.25986

209.0

[M+K]+

495.18920

206.6

[M+H-H2O]+

439.22330

200.4

[M+HCOO]-

501.22424

216.9

[M+CH3COO]-

515.23989

226.1

[M+Na-2H]-

477.20071

204.3

[M]+

456.22549

199.5

[M]-

456.22659

199.5

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

1044814-10-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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