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

32
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

literature stripe

Patent stripe

patents stripe