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 153.8
[M+Na]+ 399.96822 159.3
[M+NH4]+ 395.01282 157.0
[M+K]+ 415.94216 160.9
[M-H]- 375.97172 161.8
[M+Na-2H]- 397.95367 154.7
[M]+ 376.97845 157.6
[M]- 376.97955 157.6
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.