CID 5868307

Nsc694676

Structural Information

Molecular Formula
C21H21N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/CCC3(C=C2)C4=CC=CC=C4N(C3=O)C
InChI
InChI=1S/C21H21N3O3S/c1-15-7-9-17(10-8-15)28(26,27)23-22-16-11-13-21(14-12-16)18-5-3-4-6-19(18)24(2)20(21)25/h3-11,13,23H,12,14H2,1-2H3/b22-16+
InChIKey
KRXZDPWUKGSUHU-CJLVFECKSA-N
Compound name
4-methyl-N-[(Z)-(1'-methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.13037 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13765 191.9
[M+Na]+ 418.11959 200.3
[M-H]- 394.12309 201.5
[M+NH4]+ 413.16419 207.4
[M+K]+ 434.09353 194.5
[M+H-H2O]+ 378.12763 183.7
[M+HCOO]- 440.12857 208.4
[M+CH3COO]- 454.14422 223.7
[M+Na-2H]- 416.10504 196.3
[M]+ 395.12982 193.3
[M]- 395.13092 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.