CID 46686

Arsanilic acid, n-3-phenoselenazinyl-

Structural Information

Molecular Formula
C18H15AsN2O3Se
SMILES
C1=CC=C2C(=C1)NC3=C([Se]2)C=C(C=C3)NC4=CC=C(C=C4)[As](=O)(O)O
InChI
InChI=1S/C18H15AsN2O3Se/c22-19(23,24)12-5-7-13(8-6-12)20-14-9-10-16-18(11-14)25-17-4-2-1-3-15(17)21-16/h1-11,20-21H,(H2,22,23,24)
InChIKey
CNDSPZNQWGVCJM-UHFFFAOYSA-N
Compound name
[4-(10H-phenoselenazin-3-ylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.94638 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.95366 196.6
[M+Na]+ 484.93560 201.9
[M-H]- 460.93910 198.4
[M+NH4]+ 479.98020 206.7
[M+K]+ 500.90954 194.5
[M+H-H2O]+ 444.94364 186.7
[M+HCOO]- 506.94458 209.6
[M+CH3COO]- 520.96023 203.5
[M+Na-2H]- 482.92105 202.8
[M]+ 461.94583 192.2
[M]- 461.94693 192.2
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.