CID 79871

5806-89-3

Structural Information

Molecular Formula
C9H11AsN6O3
SMILES
C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As](=O)(O)O
InChI
InChI=1S/C9H11AsN6O3/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(2-4-6)10(17,18)19/h1-4H,(H2,17,18,19)(H5,11,12,13,14,15,16)
InChIKey
VURSAWSSSICZRY-UHFFFAOYSA-N
Compound name
[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

18
Patents

326.01086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.01814 164.5
[M+Na]+ 349.00008 173.9
[M+NH4]+ 344.04468 168.0
[M+K]+ 364.97402 171.4
[M-H]- 325.00358 165.1
[M+Na-2H]- 346.98553 169.7
[M]+ 326.01031 165.4
[M]- 326.01141 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.