CID 20834297

72929-03-4

Structural Information

Molecular Formula
C27H54N3O4P
SMILES
CCCCCCC(CCCCCCCCCCC(=O)OCC(C)NP(=O)(N1CC1C)N2CC2C)O
InChI
InChI=1S/C27H54N3O4P/c1-5-6-7-14-17-26(31)18-15-12-10-8-9-11-13-16-19-27(32)34-22-23(2)28-35(33,29-20-24(29)3)30-21-25(30)4/h23-26,31H,5-22H2,1-4H3,(H,28,33)
InChIKey
XQCRETOCUWOCEQ-UHFFFAOYSA-N
Compound name
2-[bis(2-methylaziridin-1-yl)phosphorylamino]propyl 12-hydroxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.3852 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.39248 186.7
[M+Na]+ 538.37442 237.3
[M+NH4]+ 533.41902 236.4
[M+K]+ 554.34836 236.3
[M-H]- 514.37792 227.1
[M+Na-2H]- 536.35987 191.1
[M]+ 515.38465 233.2
[M]- 515.38575 233.2
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.