CID 6453686

N-palmitoyl-l-serine

Structural Information

Molecular Formula
C19H37NO4
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1
InChIKey
BFVRFWIQTACAPT-KRWDZBQOSA-N
Compound name
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

208
Patents

343.27225 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.27953 192.6
[M+Na]+ 366.26147 192.4
[M-H]- 342.26497 187.7
[M+NH4]+ 361.30607 204.0
[M+K]+ 382.23541 189.4
[M+H-H2O]+ 326.26951 185.3
[M+HCOO]- 388.27045 208.4
[M+CH3COO]- 402.28610 214.0
[M+Na-2H]- 364.24692 188.3
[M]+ 343.27170 196.4
[M]- 343.27280 196.4
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