CID 1229993

298230-96-3

Structural Information

Molecular Formula
C20H23NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32
InChI
InChI=1S/C20H23NO/c1-20(2,3)17-12-10-16(11-13-17)19(22)21-14-6-8-15-7-4-5-9-18(15)21/h4-5,7,9-13H,6,8,14H2,1-3H3
InChIKey
MVVRFBMVBOGXMY-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.17798 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 172.1
[M+Na]+ 316.16720 177.8
[M-H]- 292.17070 177.5
[M+NH4]+ 311.21180 187.0
[M+K]+ 332.14114 173.0
[M+H-H2O]+ 276.17524 163.5
[M+HCOO]- 338.17618 187.8
[M+CH3COO]- 352.19183 204.4
[M+Na-2H]- 314.15265 176.2
[M]+ 293.17743 169.8
[M]- 293.17853 169.8
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.