CID 28419073

1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine

Structural Information

Molecular Formula
C16H17ClN2
SMILES
C1CC2=C(C=CC(=C2)N)N(C1)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H17ClN2/c17-14-5-3-12(4-6-14)11-19-9-1-2-13-10-15(18)7-8-16(13)19/h3-8,10H,1-2,9,11,18H2
InChIKey
GCEZBESOBSHFHY-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10803 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.115306 162.5
[M+Na]+ 295.097248 170.4
[M-H]- 271.100754 167.5
[M+NH4]+ 290.141853 178.8
[M+K]+ 311.071188 163.4
[M+H-H2O]+ 255.105290 154.5
[M+HCOO]- 317.106231 177.5
[M+CH3COO]- 331.121881 173.5
[M+Na-2H]- 293.082696 167.3
[M]+ 272.10748142 160.3
[M]- 272.10857858 160.3
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.