CID 4477131

4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C18H14N4O3S2
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4
InChI
InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,21,23H,(H,19,22)
InChIKey
TZWAPMQFRGZIFN-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

398.05072 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.05800 189.0
[M+Na]+ 421.03994 199.8
[M-H]- 397.04344 197.4
[M+NH4]+ 416.08454 201.9
[M+K]+ 437.01388 192.2
[M+H-H2O]+ 381.04798 182.8
[M+HCOO]- 443.04892 204.0
[M+CH3COO]- 457.06457 199.4
[M+Na-2H]- 419.02539 192.9
[M]+ 398.05017 193.4
[M]- 398.05127 193.4
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