CID 214163

Benzamide, n-(bis(1-aziridinyl)phosphinyl)-p-iodo-

Structural Information

Molecular Formula
C11H13IN3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC=C(C=C2)I)N3CC3
InChI
InChI=1S/C11H13IN3O2P/c12-10-3-1-9(2-4-10)11(16)13-18(17,14-5-6-14)15-7-8-15/h1-4H,5-8H2,(H,13,16,17)
InChIKey
XAPPYTMPCYQGRC-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.979 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.98628 180.9
[M+Na]+ 399.96822 181.7
[M-H]- 375.97172 180.6
[M+NH4]+ 395.01282 180.6
[M+K]+ 415.94216 183.0
[M+H-H2O]+ 359.97626 168.8
[M+HCOO]- 421.97720 198.9
[M+CH3COO]- 435.99285 214.3
[M+Na-2H]- 397.95367 171.3
[M]+ 376.97845 181.7
[M]- 376.97955 181.7
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.