CID 215644

Brn 0413005

Structural Information

Molecular Formula
C9H12ClN4OP
SMILES
C1CN1P(=O)(NC2=CC(=NC=C2)Cl)N3CC3
InChI
InChI=1S/C9H12ClN4OP/c10-9-7-8(1-2-11-9)12-16(15,13-3-4-13)14-5-6-14/h1-2,7H,3-6H2,(H,11,12,15)
InChIKey
YAHQPHRKAPHWJJ-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-2-chloropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04373 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05101 174.0
[M+Na]+ 281.03295 181.7
[M-H]- 257.03645 178.1
[M+NH4]+ 276.07755 177.0
[M+K]+ 297.00689 176.9
[M+H-H2O]+ 241.04099 164.0
[M+HCOO]- 303.04193 192.5
[M+CH3COO]- 317.05758 205.2
[M+Na-2H]- 279.01840 175.0
[M]+ 258.04318 177.8
[M]- 258.04428 177.8
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.