CID 100937253

N-palmitoleyl glutamine

Structural Information

Molecular Formula
C21H38N2O4
SMILES
CCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C21H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)23-18(21(26)27)16-17-19(22)24/h7-8,18H,2-6,9-17H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/b8-7-/t18-/m0/s1
InChIKey
RTYOSBVPVOEYFN-ZEVQVBBLSA-N
Compound name
(2S)-5-amino-2-[[(Z)-hexadec-9-enoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.28317 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.29045 202.4
[M+Na]+ 405.27239 201.3
[M-H]- 381.27589 198.1
[M+NH4]+ 400.31699 207.8
[M+K]+ 421.24633 197.8
[M+H-H2O]+ 365.28043 194.3
[M+HCOO]- 427.28137 208.8
[M+CH3COO]- 441.29702 225.6
[M+Na-2H]- 403.25784 195.7
[M]+ 382.28262 204.8
[M]- 382.28372 204.8
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

No patent data available for this compound.