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]+ 264.174676 163.7
[M+Na]+ 286.156618 172.4
[M-H]- 262.160124 170.0
[M+NH4]+ 281.201223 182.3
[M+K]+ 302.130558 166.8
[M+H-H2O]+ 246.164660 154.9
[M+HCOO]- 308.165601 183.4
[M+CH3COO]- 322.181251 175.6
[M+Na-2H]- 284.142066 169.9
[M]+ 263.16685142 163.6
[M]- 263.16794858 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

literature stripe

Patent stripe

patents stripe