CID 728718

1-cinnamoyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C18H17NO
SMILES
C1CC2=CC=CC=C2N(C1)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H17NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11-13H,6,10,14H2/b13-12+
InChIKey
SFOVHKYYGVAXCU-OUKQBFOZSA-N
Compound name
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

263.131 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 161.8
[M+Na]+ 286.12022 167.3
[M-H]- 262.12372 166.9
[M+NH4]+ 281.16482 177.4
[M+K]+ 302.09416 161.7
[M+H-H2O]+ 246.12826 152.8
[M+HCOO]- 308.12920 180.0
[M+CH3COO]- 322.14485 172.3
[M+Na-2H]- 284.10567 166.9
[M]+ 263.13045 158.1
[M]- 263.13155 158.1
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.