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

9
Patents

349.04077 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.04805 174.5
[M+Na]+ 372.02999 180.3
[M-H]- 348.03349 182.5
[M+NH4]+ 367.07459 189.1
[M+K]+ 388.00393 178.5
[M+H-H2O]+ 332.03803 165.4
[M+HCOO]- 394.03897 200.8
[M+CH3COO]- 408.05462 212.3
[M+Na-2H]- 370.01544 180.8
[M]+ 349.04022 176.1
[M]- 349.04132 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