CID 94822

4-(dimethylamino)azobenzene-4'-arsonic acid

Structural Information

Molecular Formula
C14H16AsN3O3
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[As](=O)(O)O
InChI
InChI=1S/C14H16AsN3O3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19,20)21/h3-10H,1-2H3,(H2,19,20,21)
InChIKey
VESQGSDAHXGDIU-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

349.04077 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.048046 174.5
[M+Na]+ 372.029988 180.3
[M-H]- 348.033494 182.5
[M+NH4]+ 367.074593 189.1
[M+K]+ 388.003928 178.5
[M+H-H2O]+ 332.038030 165.4
[M+HCOO]- 394.038971 200.8
[M+CH3COO]- 408.054621 212.3
[M+Na-2H]- 370.015436 180.8
[M]+ 349.04022142 176.1
[M]- 349.04131858 176.1
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

patents stripe