CID 108293

1-(2-(bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-bromophenyl)urea

Structural Information

Molecular Formula
C13H16BrN4O2P
SMILES
C1CN1P(=O)(C=CNC(=O)NC2=CC=C(C=C2)Br)N3CC3
InChI
InChI=1S/C13H16BrN4O2P/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)
InChIKey
KZOLMYACEQVWMI-UHFFFAOYSA-N
Compound name
1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-bromophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.01944 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.026716 191.8
[M+Na]+ 393.008658 200.5
[M-H]- 369.012164 199.3
[M+NH4]+ 388.053263 195.4
[M+K]+ 408.982598 187.9
[M+H-H2O]+ 353.016700 187.5
[M+HCOO]- 415.017641 212.6
[M+CH3COO]- 429.033291 220.1
[M+Na-2H]- 390.994106 192.4
[M]+ 370.01889142 209.3
[M]- 370.01998858 209.3
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.