CID 199403

Benzamide, n-(bis(1-aziridinyl)phosphinyl)-2,4,5-triiodo-

Structural Information

Molecular Formula
C11H11I3N3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC(=C(C=C2I)I)I)N3CC3
InChI
InChI=1S/C11H11I3N3O2P/c12-8-6-10(14)9(13)5-7(8)11(18)15-20(19,16-1-2-16)17-3-4-17/h5-6H,1-4H2,(H,15,18,19)
InChIKey
RHVWCWIYHHXONB-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-2,4,5-triiodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.7723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.77958 177.7
[M+Na]+ 651.76152 168.1
[M-H]- 627.76502 171.3
[M+NH4]+ 646.80612 172.3
[M+K]+ 667.73546 177.8
[M+H-H2O]+ 611.76956 165.3
[M+HCOO]- 673.77050 183.6
[M+CH3COO]- 687.78615 237.9
[M+Na-2H]- 649.74697 162.8
[M]+ 628.77175 175.1
[M]- 628.77285 175.1
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.