PubChemLite - Methanandamide (C23H39NO2)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO

InChI

InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1

InChIKey

SQKRUBZPTNJQEM-FQPARAGTSA-N

Compound name

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide

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]+	362.30535	200.3
[M+Na]+	384.28729	200.5
[M-H]-	360.29079	196.3
[M+NH4]+	379.33189	212.0
[M+K]+	400.26123	193.8
[M+H-H2O]+	344.29533	192.9
[M+HCOO]-	406.29627	217.5
[M+CH3COO]-	420.31192	218.5
[M+Na-2H]-	382.27274	195.7
[M]+	361.29752	202.9
[M]-	361.29862	202.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

362.30535

200.3

[M+Na]+

384.28729

200.5

[M-H]-

360.29079

196.3

[M+NH4]+

379.33189

212.0

[M+K]+

400.26123

193.8

[M+H-H2O]+

344.29533

192.9

[M+HCOO]-

406.29627

217.5

[M+CH3COO]-

420.31192

218.5

[M+Na-2H]-

382.27274

195.7

[M]+

361.29752

202.9

[M]-

361.29862

202.9

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

Methanandamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe