CID 6446155

Urea, 1-(2-(bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-chlorophenyl)-

Structural Information

Molecular Formula
C13H16ClN4O2P
SMILES
C1CN1P(=O)(/C=C/NC(=O)NC2=CC=C(C=C2)Cl)N3CC3
InChI
InChI=1S/C13H16ClN4O2P/c14-11-1-3-12(4-2-11)16-13(19)15-5-10-21(20,17-6-7-17)18-8-9-18/h1-5,10H,6-9H2,(H2,15,16,19)/b10-5+
InChIKey
DEWJPPRXNWNMHY-BJMVGYQFSA-N
Compound name
1-[(E)-2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.06995 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07723 180.8
[M+Na]+ 349.05917 186.8
[M-H]- 325.06267 186.1
[M+NH4]+ 344.10377 182.5
[M+K]+ 365.03311 181.1
[M+H-H2O]+ 309.06721 171.9
[M+HCOO]- 371.06815 200.2
[M+CH3COO]- 385.08380 216.2
[M+Na-2H]- 347.04462 180.8
[M]+ 326.06940 184.9
[M]- 326.07050 184.9
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.