PubChemLite - Chebi:169932 (C26H37NO2)

Structural Information

Molecular Formula

SMILES

C/C=C(\C)/C=C(\C)/C=C(\C)/C[C@H](C)CC/C=C/C(=O)C1=C/C(=C/C(C)C)/NC1=O

InChI

InChI=1S/C26H37NO2/c1-8-19(4)14-21(6)16-22(7)15-20(5)11-9-10-12-25(28)24-17-23(13-18(2)3)27-26(24)29/h8,10,12-14,16-18,20H,9,11,15H2,1-7H3,(H,27,29)/b12-10+,19-8+,21-14+,22-16+,23-13-/t20-/m1/s1

InChIKey

OGOOQDHSWFFUNL-PIUTVPOOSA-N

Compound name

(5Z)-5-(2-methylpropylidene)-3-[(2E,6R,8E,10E,12E)-6,8,10,12-tetramethyltetradeca-2,8,10,12-tetraenoyl]pyrrol-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]+	396.28972	205.1
[M+Na]+	418.27166	206.7
[M-H]-	394.27516	204.1
[M+NH4]+	413.31626	216.2
[M+K]+	434.24560	199.9
[M+H-H2O]+	378.27970	198.3
[M+HCOO]-	440.28064	216.5
[M+CH3COO]-	454.29629	224.9
[M+Na-2H]-	416.25711	192.7
[M]+	395.28189	203.8
[M]-	395.28299	203.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

396.28972

205.1

[M+Na]+

418.27166

206.7

[M-H]-

394.27516

204.1

[M+NH4]+

413.31626

216.2

[M+K]+

434.24560

199.9

[M+H-H2O]+

378.27970

198.3

[M+HCOO]-

440.28064

216.5

[M+CH3COO]-

454.29629

224.9

[M+Na-2H]-

416.25711

192.7

[M]+

395.28189

203.8

[M]-

395.28299

203.8

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

Chebi:169932

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe