CID 459225

N-(2-amino-4-pyrimidyl)-2-hydroxyarsanilic acid

Structural Information

Molecular Formula
C10H11AsN4O4
SMILES
C1=CC(=C(C=C1NC2=NC(=NC=C2)N)O)[As](=O)(O)O
InChI
InChI=1S/C10H11AsN4O4/c12-10-13-4-3-9(15-10)14-6-1-2-7(8(16)5-6)11(17,18)19/h1-5,16H,(H2,17,18,19)(H3,12,13,14,15)
InChIKey
MZYMRAWVFLFACH-UHFFFAOYSA-N
Compound name
[4-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.99963 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.00691 167.6
[M+Na]+ 348.98885 174.8
[M-H]- 324.99235 167.8
[M+NH4]+ 344.03345 177.9
[M+K]+ 364.96279 170.4
[M+H-H2O]+ 308.99689 158.9
[M+HCOO]- 370.99783 185.8
[M+CH3COO]- 385.01348 195.2
[M+Na-2H]- 346.97430 173.5
[M]+ 325.99908 164.3
[M]- 326.00018 164.3
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.