CID 118701009

N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-l-serine

Structural Information

Molecular Formula
C37H71NO6
SMILES
CC(C)CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C37H71NO6/c1-31(2)25-21-17-13-9-6-5-7-12-16-20-24-28-36(41)44-33(29-35(40)38-34(30-39)37(42)43)27-23-19-15-11-8-10-14-18-22-26-32(3)4/h31-34,39H,5-30H2,1-4H3,(H,38,40)(H,42,43)/t33?,34-/m0/s1
InChIKey
WTGXHHUORCSXNB-DNKZHYAASA-N
Compound name
(2S)-3-hydroxy-2-[[15-methyl-3-(15-methylhexadecanoyloxy)hexadecanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

625.52814 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.53542 262.3
[M+Na]+ 648.51736 268.6
[M-H]- 624.52086 256.8
[M+NH4]+ 643.56196 268.3
[M+K]+ 664.49130 271.4
[M+H-H2O]+ 608.52540 262.5
[M+HCOO]- 670.52634 251.1
[M+CH3COO]- 684.54199 270.7
[M+Na-2H]- 646.50281 246.9
[M]+ 625.52759 258.8
[M]- 625.52869 258.8
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

No patent data available for this compound.