CID 21445006

N-docosanoylglycine

Structural Information

Molecular Formula
C24H47NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h2-22H2,1H3,(H,25,26)(H,27,28)
InChIKey
YQPHTLSGFSVOOM-UHFFFAOYSA-N
Compound name
2-(docosanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

397.3556 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.36288 211.1
[M+Na]+ 420.34482 209.5
[M-H]- 396.34832 206.5
[M+NH4]+ 415.38942 217.4
[M+K]+ 436.31876 204.9
[M+H-H2O]+ 380.35286 202.7
[M+HCOO]- 442.35380 225.7
[M+CH3COO]- 456.36945 228.3
[M+Na-2H]- 418.33027 205.9
[M]+ 397.35505 217.9
[M]- 397.35615 217.9
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