CID 478556

4-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C16H17N
SMILES
CC1CC(NC2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-10,12,16-17H,11H2,1H3
InChIKey
YLJDCLMQBMQJRJ-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

223.1361 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 151.0
[M+Na]+ 246.12532 157.7
[M-H]- 222.12882 155.3
[M+NH4]+ 241.16992 168.1
[M+K]+ 262.09926 151.8
[M+H-H2O]+ 206.13336 142.9
[M+HCOO]- 268.13430 168.9
[M+CH3COO]- 282.14995 162.3
[M+Na-2H]- 244.11077 157.3
[M]+ 223.13555 146.0
[M]- 223.13665 146.0
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