CID 3792751

Isck03

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C19H21N3O2S/c1-19(2,3)15-4-10-18(11-5-15)25(23,24)21-16-6-8-17(9-7-16)22-13-12-20-14-22/h4-14,21H,1-3H3
InChIKey
XQABBHBFHWHMKF-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

35
Patents

355.13544 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 184.1
[M+Na]+ 378.12466 196.8
[M+NH4]+ 373.16926 190.8
[M+K]+ 394.09860 190.4
[M-H]- 354.12816 188.2
[M+Na-2H]- 376.11011 193.3
[M]+ 355.13489 187.6
[M]- 355.13599 187.6
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