CID 203711

Brn 1588872

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]+ 282.10021 147.5
[M+Na]+ 304.08215 158.8
[M+NH4]+ 299.12675 153.8
[M+K]+ 320.05609 158.6
[M-H]- 280.08565 161.0
[M+Na-2H]- 302.06760 158.3
[M]+ 281.09238 154.6
[M]- 281.09348 154.6
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.