CID 37120

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.09802 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10530 175.6
[M+Na]+ 288.08724 182.2
[M-H]- 264.09074 181.4
[M+NH4]+ 283.13184 179.0
[M+K]+ 304.06118 178.7
[M+H-H2O]+ 248.09528 166.2
[M+HCOO]- 310.09622 198.1
[M+CH3COO]- 324.11187 208.3
[M+Na-2H]- 286.07269 175.5
[M]+ 265.09747 179.1
[M]- 265.09857 179.1
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

patents stripe