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 170.7
[M+Na]+ 376.01098 178.7
[M+NH4]+ 371.05558 174.2
[M+K]+ 391.98492 176.4
[M-H]- 352.01448 173.3
[M+Na-2H]- 373.99643 175.9
[M]+ 353.02121 171.9
[M]- 353.02231 171.9
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.