CID 3087814

Pyrimidine, 2-amino-4-(p-arsenosoanilino)-

Structural Information

Molecular Formula
C10H9AsN4O
SMILES
C1=CC(=CC=C1NC2=NC(=NC=C2)N)[As]=O
InChI
InChI=1S/C10H9AsN4O/c12-10-13-6-5-9(15-10)14-8-3-1-7(11-16)2-4-8/h1-6H,(H3,12,13,14,15)
InChIKey
OJAYDAKRSLYBDS-UHFFFAOYSA-N
Compound name
4-N-(4-arsorosophenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.99924 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00652 156.7
[M+Na]+ 298.98846 164.6
[M-H]- 274.99196 160.2
[M+NH4]+ 294.03306 171.0
[M+K]+ 314.96240 160.0
[M+H-H2O]+ 258.99650 147.0
[M+HCOO]- 320.99744 180.6
[M+CH3COO]- 335.01309 193.3
[M+Na-2H]- 296.97391 163.8
[M]+ 275.99869 154.8
[M]- 275.99979 154.8
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.