CID 15199918

C2 ceramide-1-phosphate

Structural Information

Molecular Formula
C20H40NO6P
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O
InChI
InChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/t19-,20+/m0/s1
InChIKey
HWPZKJVGDYNEAW-QUDYQQOWSA-N
Compound name
[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

421.25934 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.26662 206.8
[M+Na]+ 444.24856 211.7
[M-H]- 420.25206 202.8
[M+NH4]+ 439.29316 206.4
[M+K]+ 460.22250 206.1
[M+H-H2O]+ 404.25660 196.8
[M+HCOO]- 466.25754 211.3
[M+CH3COO]- 480.27319 224.6
[M+Na-2H]- 442.23401 193.0
[M]+ 421.25879 200.8
[M]- 421.25989 200.8
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