CID 206728

Carbamic acid, (bis(1-aziridinyl)phosphinyl)-, 1,2,3-propanetriyl ester

Structural Information

Molecular Formula
C18H32N9O9P3
SMILES
C1CN1P(=O)(NC(=O)OCC(COC(=O)NP(=O)(N2CC2)N3CC3)OC(=O)NP(=O)(N4CC4)N5CC5)N6CC6
InChI
InChI=1S/C18H32N9O9P3/c28-16(19-37(31,22-1-2-22)23-3-4-23)34-13-15(36-18(30)21-39(33,26-9-10-26)27-11-12-27)14-35-17(29)20-38(32,24-5-6-24)25-7-8-25/h15H,1-14H2,(H,19,28,31)(H,20,29,32)(H,21,30,33)
InChIKey
PNMGXUKOVGRSIA-UHFFFAOYSA-N
Compound name
2,3-bis[bis(aziridin-1-yl)phosphorylcarbamoyloxy]propyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

611.15356 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.16084 126.8
[M+Na]+ 634.14278 128.8
[M+NH4]+ 629.18738 270.0
[M+K]+ 650.11672 132.5
[M-H]- 610.14628 131.5
[M+Na-2H]- 632.12823 132.4
[M]+ 611.15301 129.0
[M]- 611.15411 129.0
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.