CID 199333

Benzamide, n-(bis(1-aziridinyl)phosphinyl)-3,5-diiodo-

Structural Information

Molecular Formula
C11H12I2N3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC(=CC(=C2)I)I)N3CC3
InChI
InChI=1S/C11H12I2N3O2P/c12-9-5-8(6-10(13)7-9)11(17)14-19(18,15-1-2-15)16-3-4-16/h5-7H,1-4H2,(H,14,17,18)
InChIKey
NPVMYPWUNYQMNS-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3,5-diiodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.87567 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.88295 162.3
[M+Na]+ 525.86489 161.1
[M+NH4]+ 520.90949 161.7
[M+K]+ 541.83883 165.1
[M-H]- 501.86839 163.7
[M+Na-2H]- 523.85034 155.1
[M]+ 502.87512 162.3
[M]- 502.87622 162.3
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.