CID 90939

4-chloro-n-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)aniline

Structural Information

Molecular Formula
C16H17ClN2
SMILES
CNC1=C(C=C(C=C1)Cl)C2C3=CC=CC=C3CCN2
InChI
InChI=1S/C16H17ClN2/c1-18-15-7-6-12(17)10-14(15)16-13-5-3-2-4-11(13)8-9-19-16/h2-7,10,16,18-19H,8-9H2,1H3
InChIKey
XRUIERQCHYNNEP-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

272.10803 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.115306 161.7
[M+Na]+ 295.097248 169.2
[M-H]- 271.100754 165.9
[M+NH4]+ 290.141853 177.6
[M+K]+ 311.071188 161.6
[M+H-H2O]+ 255.105290 154.0
[M+HCOO]- 317.106231 175.9
[M+CH3COO]- 331.121881 172.3
[M+Na-2H]- 293.082696 167.2
[M]+ 272.10748142 158.8
[M]- 272.10857858 158.8
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