CID 452112

Cp-44

Structural Information

Molecular Formula
C26H56NO6P
SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCNC(C)C)OCC
InChI
InChI=1S/C26H56NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-26(31-6-2)24-33-34(28,29)32-22-20-27-25(3)4/h25-27H,5-24H2,1-4H3,(H,28,29)
InChIKey
QYZIFENMIRZXEQ-UHFFFAOYSA-N
Compound name
(2-ethoxy-3-hexadecoxypropyl) 2-(propan-2-ylamino)ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

509.38452 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.39180 237.0
[M+Na]+ 532.37374 241.1
[M-H]- 508.37724 228.3
[M+NH4]+ 527.41834 238.7
[M+K]+ 548.34768 238.2
[M+H-H2O]+ 492.38178 227.9
[M+HCOO]- 554.38272 243.0
[M+CH3COO]- 568.39837 248.7
[M+Na-2H]- 530.35919 220.1
[M]+ 509.38397 233.5
[M]- 509.38507 233.5
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

No patent data available for this compound.