CID 53472007

79811-24-8

Structural Information

Molecular Formula
C23H43NO5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C23H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-23(28)20(24)18-19-21(25)26/h20H,2-19,24H2,1H3,(H,25,26)/t20-/m0/s1
InChIKey
SKQOTPRMPUYWSH-FQEVSTJZSA-N
Compound name
(4S)-4-amino-5-octadecanoyloxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7195
Patents

413.31412 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.32140 211.9
[M+Na]+ 436.30334 219.7
[M-H]- 412.30684 205.8
[M+NH4]+ 431.34794 213.3
[M+K]+ 452.27728 207.6
[M+H-H2O]+ 396.31138 203.7
[M+HCOO]- 458.31232 213.6
[M+CH3COO]- 472.32797 228.9
[M+Na-2H]- 434.28879 204.0
[M]+ 413.31357 207.8
[M]- 413.31467 207.8
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

patents stripe