CID 4477128

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

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)N=CC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,17,19-20H,1H3
InChIKey
GXZJLHQMNOLIAB-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

329.0834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 173.3
[M+Na]+ 352.07262 183.1
[M-H]- 328.07612 179.5
[M+NH4]+ 347.11722 188.3
[M+K]+ 368.04656 176.7
[M+H-H2O]+ 312.08066 166.2
[M+HCOO]- 374.08160 192.8
[M+CH3COO]- 388.09725 206.5
[M+Na-2H]- 350.05807 179.2
[M]+ 329.08285 176.6
[M]- 329.08395 176.6
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