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]+ 371.02672 191.8
[M+Na]+ 393.00866 200.5
[M-H]- 369.01216 199.3
[M+NH4]+ 388.05326 195.4
[M+K]+ 408.98260 187.9
[M+H-H2O]+ 353.01670 187.5
[M+HCOO]- 415.01764 212.6
[M+CH3COO]- 429.03329 220.1
[M+Na-2H]- 390.99411 192.4
[M]+ 370.01889 209.3
[M]- 370.01999 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.