CID 710667

314054-13-2

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32
InChI
InChI=1S/C17H17NO2/c1-20-15-10-8-14(9-11-15)17(19)18-12-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-11H,4,6,12H2,1H3
InChIKey
ISOIKTAKKIUWNB-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

267.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 161.4
[M+Na]+ 290.11514 167.8
[M-H]- 266.11864 167.0
[M+NH4]+ 285.15974 177.1
[M+K]+ 306.08908 163.7
[M+H-H2O]+ 250.12318 152.5
[M+HCOO]- 312.12412 179.9
[M+CH3COO]- 326.13977 172.5
[M+Na-2H]- 288.10059 166.4
[M]+ 267.12537 160.0
[M]- 267.12647 160.0
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

No patent data available for this compound.