CID 22974265

Pecipamide

Structural Information

Molecular Formula
C35H71NO4
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)[C@@H](CCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)/t32-,33+,34+/m0/s1
InChIKey
SKUYODQAHZTUFS-LBFZIJHGSA-N
Compound name
(2R)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-2-hydroxyheptadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

569.5383 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.54558 259.0
[M+Na]+ 592.52752 262.9
[M-H]- 568.53102 246.5
[M+NH4]+ 587.57212 255.7
[M+K]+ 608.50146 264.3
[M+H-H2O]+ 552.53556 255.9
[M+HCOO]- 614.53650 252.1
[M+CH3COO]- 628.55215 259.0
[M+Na-2H]- 590.51297 241.0
[M]+ 569.53775 253.4
[M]- 569.53885 253.4
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