CID 272661

100311-01-1

Structural Information

Molecular Formula
C10H12AsN7O3
SMILES
C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)[As](=O)(O)O
InChI
InChI=1S/C10H12AsN7O3/c12-8-7(9(13)16-10(14)15-8)18-17-6-3-1-5(2-4-6)11(19,20)21/h1-4H,(H2,19,20,21)(H6,12,13,14,15,16)
InChIKey
VZMBEGLTKQXWEK-UHFFFAOYSA-N
Compound name
[4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.02176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02904 173.2
[M+Na]+ 376.01098 180.6
[M-H]- 352.01448 177.1
[M+NH4]+ 371.05558 183.3
[M+K]+ 391.98492 177.2
[M+H-H2O]+ 336.01902 163.2
[M+HCOO]- 398.01996 197.7
[M+CH3COO]- 412.03561 215.2
[M+Na-2H]- 373.99643 179.4
[M]+ 353.02121 169.6
[M]- 353.02231 169.6
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.