CID 203710

15044-93-6

Structural Information

Molecular Formula
C12H16N3O2P
SMILES
CC1=CC(=CC=C1)C(=O)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C12H16N3O2P/c1-10-3-2-4-11(9-10)12(16)13-18(17,14-5-6-14)15-7-8-15/h2-4,9H,5-8H2,1H3,(H,13,16,17)
InChIKey
JFZNRSUAWLULBX-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09802 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10530 144.4
[M+Na]+ 288.08724 156.0
[M+NH4]+ 283.13184 151.1
[M+K]+ 304.06118 155.5
[M-H]- 264.09074 158.2
[M+Na-2H]- 286.07269 155.5
[M]+ 265.09747 151.7
[M]- 265.09857 151.7
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.