CID 52922072

N-oleoyl glutamine

Structural Information

Molecular Formula
C23H42N2O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h9-10,20H,2-8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b10-9-/t20-/m0/s1
InChIKey
ZHVSXWCIYWYBQP-QJRAZLAKSA-N
Compound name
(2S)-5-amino-2-[[(Z)-octadec-9-enoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

410.31445 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.32173 211.0
[M+Na]+ 433.30367 209.0
[M-H]- 409.30717 211.0
[M+NH4]+ 428.34827 214.9
[M+K]+ 449.27761 205.1
[M+H-H2O]+ 393.31171 202.5
[M+HCOO]- 455.31265 215.2
[M+CH3COO]- 469.32830 231.5
[M+Na-2H]- 431.28912 203.3
[M]+ 410.31390 208.1
[M]- 410.31500 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.