CID 6446153

Brn 1596276

Structural Information

Molecular Formula
C14H19N4O2P
SMILES
CC1=CC=C(C=C1)NC(=O)N/C=C/P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C14H19N4O2P/c1-12-2-4-13(5-3-12)16-14(19)15-6-11-21(20,17-7-8-17)18-9-10-18/h2-6,11H,7-10H2,1H3,(H2,15,16,19)/b11-6+
InChIKey
QKRPECBJFLWLOD-IZZDOVSWSA-N
Compound name
1-[(E)-2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12457 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13185 150.9
[M+Na]+ 329.11379 161.3
[M+NH4]+ 324.15839 156.8
[M+K]+ 345.08773 160.8
[M-H]- 305.11729 164.7
[M+Na-2H]- 327.09924 161.5
[M]+ 306.12402 157.8
[M]- 306.12512 157.8
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.