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	205.8
[M+Na]+	418.27166	210.6
[M+NH4]+	413.31626	207.8
[M+K]+	434.24560	207.4
[M-H]-	394.27516	202.1
[M+Na-2H]-	416.25711	202.2
[M]+	395.28189	204.6
[M]-	395.28299	204.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

396.28972

205.8

[M+Na]+

418.27166

210.6

[M+NH4]+

413.31626

207.8

[M+K]+

434.24560

207.4

[M-H]-

394.27516

202.1

[M+Na-2H]-

416.25711

202.2

[M]+

395.28189

204.6

[M]-

395.28299

204.6

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

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