CID 1381632

1-benzyl-2,2,4-trimethyl-1,2-dihydro-quinoline

Structural Information

Molecular Formula
C19H21N
SMILES
CC1=CC(N(C2=CC=CC=C12)CC3=CC=CC=C3)(C)C
InChI
InChI=1S/C19H21N/c1-15-13-19(2,3)20(14-16-9-5-4-6-10-16)18-12-8-7-11-17(15)18/h4-13H,14H2,1-3H3
InChIKey
NRTFNXZCLXJPHL-UHFFFAOYSA-N
Compound name
1-benzyl-2,2,4-trimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

263.1674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 163.7
[M+Na]+ 286.15662 172.4
[M-H]- 262.16012 170.0
[M+NH4]+ 281.20122 182.3
[M+K]+ 302.13056 166.8
[M+H-H2O]+ 246.16466 154.9
[M+HCOO]- 308.16560 183.4
[M+CH3COO]- 322.18125 175.6
[M+Na-2H]- 284.14207 169.9
[M]+ 263.16685 163.6
[M]- 263.16795 163.6
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.