CID 3035714

Abt-751

Structural Information

Molecular Formula
C18H17N3O4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O
InChI
InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
InChIKey
URCVCIZFVQDVPM-UHFFFAOYSA-N
Compound name
N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

57
References

3552
Patents

371.09396 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10124 183.5
[M+Na]+ 394.08318 196.4
[M+NH4]+ 389.12778 189.6
[M+K]+ 410.05712 188.5
[M-H]- 370.08668 188.7
[M+Na-2H]- 392.06863 193.4
[M]+ 371.09341 187.2
[M]- 371.09451 187.2
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

patents stripe