CID 38849

Nsc 200715

Structural Information

Molecular Formula
C19H20N3O6P
SMILES
COC(=O)C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)OP(=O)(N3CC3)N4CC4
InChI
InChI=1S/C19H20N3O6P/c1-26-18(23)14-2-6-16(7-3-14)27-19(24)20-15-4-8-17(9-5-15)28-29(25,21-10-11-21)22-12-13-22/h2-9H,10-13H2,1H3,(H,20,24)
InChIKey
MKZDXYYYRSDVCA-UHFFFAOYSA-N
Compound name
methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenyl]carbamoyloxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.10898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.11626 175.9
[M+Na]+ 440.09820 187.4
[M+NH4]+ 435.14280 180.7
[M+K]+ 456.07214 187.3
[M-H]- 416.10170 190.2
[M+Na-2H]- 438.08365 186.8
[M]+ 417.10843 183.2
[M]- 417.10953 183.2
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.