CID 203711

Benzamide, n-(bis(1-aziridinyl)phosphinyl)-m-methoxy-

Structural Information

Molecular Formula
C12H16N3O3P
SMILES
COC1=CC=CC(=C1)C(=O)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C12H16N3O3P/c1-18-11-4-2-3-10(9-11)12(16)13-19(17,14-5-6-14)15-7-8-15/h2-4,9H,5-8H2,1H3,(H,13,16,17)
InChIKey
QVGXYAWKQVRZLB-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.09293 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.100206 178.9
[M+Na]+ 304.082148 185.3
[M-H]- 280.085654 184.6
[M+NH4]+ 299.126753 181.6
[M+K]+ 320.056088 182.0
[M+H-H2O]+ 264.090190 169.5
[M+HCOO]- 326.091131 201.4
[M+CH3COO]- 340.106781 210.1
[M+Na-2H]- 302.067596 178.8
[M]+ 281.09238142 183.5
[M]- 281.09347858 183.5
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.