CID 6446692

Urea, 1-((bis(1-aziridinyl)phosphoryl)vinyl)-3-tolyl-

Structural Information

Molecular Formula
C14H19N4O2P
SMILES
CC1=CC=CC=C1NC(=O)N/C=C/P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C14H19N4O2P/c1-12-4-2-3-5-13(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
MGMBPBXCQDNJJM-IZZDOVSWSA-N
Compound name
1-[(E)-2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(2-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 183.4
[M+Na]+ 329.11379 188.9
[M-H]- 305.11729 189.0
[M+NH4]+ 324.15839 185.2
[M+K]+ 345.08773 184.2
[M+H-H2O]+ 289.12183 174.0
[M+HCOO]- 351.12277 206.4
[M+CH3COO]- 365.13842 215.7
[M+Na-2H]- 327.09924 183.1
[M]+ 306.12402 186.2
[M]- 306.12512 186.2
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.