CID 478557

4,6-dimethyl-2-phenyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C17H19N
SMILES
CC1CC(NC2=C1C=C(C=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C17H19N/c1-12-8-9-16-15(10-12)13(2)11-17(18-16)14-6-4-3-5-7-14/h3-10,13,17-18H,11H2,1-2H3
InChIKey
VCADEWAIGXBDGL-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.15175 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15903 155.8
[M+Na]+ 260.14097 163.0
[M-H]- 236.14447 160.3
[M+NH4]+ 255.18557 172.7
[M+K]+ 276.11491 156.9
[M+H-H2O]+ 220.14901 147.7
[M+HCOO]- 282.14995 173.3
[M+CH3COO]- 296.16560 167.0
[M+Na-2H]- 258.12642 160.8
[M]+ 237.15120 151.6
[M]- 237.15230 151.6
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

No patent data available for this compound.