CID 459197

2-[(2-aminopyrimidin-4-yl)amino]-4-arsoroso-phenol

Structural Information

Molecular Formula
C10H9AsN4O2
SMILES
C1=CC(=C(C=C1[As]=O)NC2=NC(=NC=C2)N)O
InChI
InChI=1S/C10H9AsN4O2/c12-10-13-4-3-9(15-10)14-7-5-6(11-17)1-2-8(7)16/h1-5,16H,(H3,12,13,14,15)
InChIKey
MPYWXCKOKDSPMX-UHFFFAOYSA-N
Compound name
2-[(2-aminopyrimidin-4-yl)amino]-4-arsorosophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.99414 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00142 160.5
[M+Na]+ 314.98336 168.8
[M-H]- 290.98686 163.1
[M+NH4]+ 310.02796 173.7
[M+K]+ 330.95730 164.0
[M+H-H2O]+ 274.99140 151.1
[M+HCOO]- 336.99234 183.1
[M+CH3COO]- 351.00799 194.4
[M+Na-2H]- 312.96881 166.3
[M]+ 291.99359 158.6
[M]- 291.99469 158.6
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.