CID 15221000

N-stearoyl proline

Structural Information

Molecular Formula
C23H43NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-20-17-18-21(24)23(26)27/h21H,2-20H2,1H3,(H,26,27)/t21-/m0/s1
InChIKey
IYWTVBWXIUJHNJ-NRFANRHFSA-N
Compound name
(2S)-1-octadecanoylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

381.32428 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.33156 205.1
[M+Na]+ 404.31350 204.8
[M-H]- 380.31700 202.8
[M+NH4]+ 399.35810 216.4
[M+K]+ 420.28744 200.4
[M+H-H2O]+ 364.32154 196.6
[M+HCOO]- 426.32248 218.9
[M+CH3COO]- 440.33813 220.3
[M+Na-2H]- 402.29895 198.1
[M]+ 381.32373 208.5
[M]- 381.32483 208.5
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