CID 6446154

Brn 1598507

Structural Information

Molecular Formula
C14H19N4O3P
SMILES
COC1=CC=C(C=C1)NC(=O)N/C=C/P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C14H19N4O3P/c1-21-13-4-2-12(3-5-13)16-14(19)15-6-11-22(20,17-7-8-17)18-9-10-18/h2-6,11H,7-10H2,1H3,(H2,15,16,19)/b11-6+
InChIKey
JRYMIHUUBITXSR-IZZDOVSWSA-N
Compound name
1-[(E)-2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-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 186.4
[M+Na]+ 345.10870 191.7
[M-H]- 321.11220 191.9
[M+NH4]+ 340.15330 187.6
[M+K]+ 361.08264 187.2
[M+H-H2O]+ 305.11674 177.0
[M+HCOO]- 367.11768 209.5
[M+CH3COO]- 381.13333 217.5
[M+Na-2H]- 343.09415 186.2
[M]+ 322.11893 190.4
[M]- 322.12003 190.4
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.