CID 44343825

Noepa(2-)

Structural Information

Molecular Formula
C20H40NO5P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)O
InChI
InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9-
InChIKey
BCSUWOZFWWBYSX-KTKRTIGZSA-N
Compound name
2-[[(Z)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

405.2644 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.27168 207.2
[M+Na]+ 428.25362 212.6
[M-H]- 404.25712 200.0
[M+NH4]+ 423.29822 205.2
[M+K]+ 444.22756 206.0
[M+H-H2O]+ 388.26166 199.7
[M+HCOO]- 450.26260 218.0
[M+CH3COO]- 464.27825 223.3
[M+Na-2H]- 426.23907 205.0
[M]+ 405.26385 202.1
[M]- 405.26495 202.1
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