CID 12606920

N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Structural Information

Molecular Formula
C15H15ClN2O2S
SMILES
C1CNCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H15ClN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2
InChIKey
UVSIFVBCHJEYJP-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

322.0543 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06158 168.3
[M+Na]+ 345.04352 176.0
[M-H]- 321.04702 172.7
[M+NH4]+ 340.08812 182.4
[M+K]+ 361.01746 168.7
[M+H-H2O]+ 305.05156 161.6
[M+HCOO]- 367.05250 177.2
[M+CH3COO]- 381.06815 178.3
[M+Na-2H]- 343.02897 173.9
[M]+ 322.05375 168.0
[M]- 322.05485 168.0
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