CID 199443

Benzamide, n-(bis(1-aziridinyl)phosphinyl)-3,4-diiodo-

Structural Information

Molecular Formula
C11H12I2N3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC(=C(C=C2)I)I)N3CC3
InChI
InChI=1S/C11H12I2N3O2P/c12-9-2-1-8(7-10(9)13)11(17)14-19(18,15-3-4-15)16-5-6-16/h1-2,7H,3-6H2,(H,14,17,18)
InChIKey
AZAZUQJVDUFMAK-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3,4-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 181.4
[M+Na]+ 525.86489 176.3
[M-H]- 501.86839 176.7
[M+NH4]+ 520.90949 177.8
[M+K]+ 541.83883 182.5
[M+H-H2O]+ 485.87293 168.3
[M+HCOO]- 547.87387 193.1
[M+CH3COO]- 561.88952 226.5
[M+Na-2H]- 523.85034 167.1
[M]+ 502.87512 180.3
[M]- 502.87622 180.3
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.