CID 432925

10256-61-8

Structural Information

Molecular Formula
C23H21ClN2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)Cl)C3=NCCC4=CC=CC=C43
InChI
InChI=1S/C23H21ClN2O2S/c1-16-7-10-19(11-8-16)29(27,28)26(2)22-12-9-18(24)15-21(22)23-20-6-4-3-5-17(20)13-14-25-23/h3-12,15H,13-14H2,1-2H3
InChIKey
BQVZPFZLENJLDO-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(3,4-dihydroisoquinolin-1-yl)phenyl]-N,4-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.10123 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10851 199.1
[M+Na]+ 447.09045 207.7
[M-H]- 423.09395 209.4
[M+NH4]+ 442.13505 210.1
[M+K]+ 463.06439 200.7
[M+H-H2O]+ 407.09849 189.4
[M+HCOO]- 469.09943 209.7
[M+CH3COO]- 483.11508 208.6
[M+Na-2H]- 445.07590 202.3
[M]+ 424.10068 204.0
[M]- 424.10178 204.0
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.