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 202.7
[M+Na]+ 440.09820 207.4
[M-H]- 416.10170 210.4
[M+NH4]+ 435.14280 200.2
[M+K]+ 456.07214 204.3
[M+H-H2O]+ 400.10624 192.8
[M+HCOO]- 462.10718 224.1
[M+CH3COO]- 476.12283 229.4
[M+Na-2H]- 438.08365 201.0
[M]+ 417.10843 209.5
[M]- 417.10953 209.5
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.