CID 487548

1-methyl-5-phenoxy-3,4-dihydro-2h-quinoline

Structural Information

Molecular Formula
C16H17NO
SMILES
CN1CCCC2=C1C=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C16H17NO/c1-17-12-6-9-14-15(17)10-5-11-16(14)18-13-7-3-2-4-8-13/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKey
PQXIKTMFWQNRCS-UHFFFAOYSA-N
Compound name
1-methyl-5-phenoxy-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.13101 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 154.4
[M+Na]+ 262.12023 161.3
[M-H]- 238.12373 160.0
[M+NH4]+ 257.16483 171.4
[M+K]+ 278.09417 156.9
[M+H-H2O]+ 222.12827 145.6
[M+HCOO]- 284.12921 173.8
[M+CH3COO]- 298.14486 166.1
[M+Na-2H]- 260.10568 161.0
[M]+ 239.13046 152.5
[M]- 239.13156 152.5
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

patents stripe