CID 6446698

63886-69-1

Structural Information

Molecular Formula
C14H19N4O3P
SMILES
COC1=CC=CC(=C1)NC(=O)N/C=C/P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C14H19N4O3P/c1-21-13-4-2-3-12(11-13)16-14(19)15-5-10-22(20,17-6-7-17)18-8-9-18/h2-5,10-11H,6-9H2,1H3,(H2,15,16,19)/b10-5+
InChIKey
UAACDVAQNQRUJA-BJMVGYQFSA-N
Compound name
1-[(E)-2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(3-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.11948 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12676 153.9
[M+Na]+ 345.10870 164.0
[M+NH4]+ 340.15330 159.4
[M+K]+ 361.08264 163.9
[M-H]- 321.11220 167.4
[M+Na-2H]- 343.09415 164.2
[M]+ 322.11893 160.7
[M]- 322.12003 160.7
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.