CID 5312137

(3z)-n,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
CN(C)S(=O)(=O)C1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CC4=C(N3)CCCC4
InChI
InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
InChIKey
LOGJQOUIVKBFGH-YBEGLDIGSA-N
Compound name
(3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

166
References

110
Patents

371.13037 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 188.0
[M+Na]+ 394.11959 195.3
[M-H]- 370.12309 192.9
[M+NH4]+ 389.16419 202.9
[M+K]+ 410.09353 189.5
[M+H-H2O]+ 354.12763 182.3
[M+HCOO]- 416.12857 198.4
[M+CH3COO]- 430.14422 197.0
[M+Na-2H]- 392.10504 186.9
[M]+ 371.12982 187.4
[M]- 371.13092 187.4
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