CID 228051

Nsc663770

Structural Information

Molecular Formula
C17H14N4O3S
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)O
InChI
InChI=1S/C17H14N4O3S/c22-16-5-2-1-4-13(16)12-20-14-6-8-15(9-7-14)25(23,24)21-17-18-10-3-11-19-17/h1-12,22H,(H,18,19,21)
InChIKey
XKOXWIOXLHFGSO-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyphenyl)methylideneamino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.07867 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08595 179.9
[M+Na]+ 377.06789 187.8
[M-H]- 353.07139 187.3
[M+NH4]+ 372.11249 189.3
[M+K]+ 393.04183 181.2
[M+H-H2O]+ 337.07593 169.6
[M+HCOO]- 399.07687 198.5
[M+CH3COO]- 413.09252 212.2
[M+Na-2H]- 375.05334 187.2
[M]+ 354.07812 181.2
[M]- 354.07922 181.2
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

No patent data available for this compound.