CID 214838

Compound 12,065

Structural Information

Molecular Formula
C10H10AsN5O
SMILES
C1=CC(=CC=C1NC2=NC(=NC(=C2)N)N)[As]=O
InChI
InChI=1S/C10H10AsN5O/c12-8-5-9(16-10(13)15-8)14-7-3-1-6(11-17)2-4-7/h1-5H,(H5,12,13,14,15,16)
InChIKey
IMISNZZRGKRQAS-UHFFFAOYSA-N
Compound name
4-N-(4-arsorosophenyl)pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.01013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01741 160.8
[M+Na]+ 313.99935 168.9
[M-H]- 290.00285 164.3
[M+NH4]+ 309.04395 174.2
[M+K]+ 329.97329 164.0
[M+H-H2O]+ 274.00739 151.0
[M+HCOO]- 336.00833 185.2
[M+CH3COO]- 350.02398 199.2
[M+Na-2H]- 311.98480 166.6
[M]+ 291.00958 157.7
[M]- 291.01068 157.7
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.