CID 14993929

Hydroxyproline palmitamide

Structural Information

Molecular Formula
C21H39NO4
SMILES
CCCCCCCCCCCCCCCC(=O)N1C[C@@H](C[C@H]1C(=O)O)O
InChI
InChI=1S/C21H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-18(23)16-19(22)21(25)26/h18-19,23H,2-17H2,1H3,(H,25,26)/t18-,19+/m1/s1
InChIKey
SRHSPJGTSWHUTH-MOPGFXCFSA-N
Compound name
(2S,4R)-1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

369.2879 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.29518 198.4
[M+Na]+ 392.27712 199.3
[M-H]- 368.28062 195.5
[M+NH4]+ 387.32172 209.7
[M+K]+ 408.25106 195.2
[M+H-H2O]+ 352.28516 190.8
[M+HCOO]- 414.28610 211.6
[M+CH3COO]- 428.30175 215.3
[M+Na-2H]- 390.26257 191.5
[M]+ 369.28735 201.0
[M]- 369.28845 201.0
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