CID 2818321

342046-22-4

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C#N
InChI
InChI=1S/C20H22N2O2/c1-12-15(11-21)18(13-6-5-7-14(8-13)24-4)19-16(22-12)9-20(2,3)10-17(19)23/h5-8,18,22H,9-10H2,1-4H3
InChIKey
JUEIAJWYHNTPIA-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.7
[M+Na]+ 345.15734 190.0
[M-H]- 321.16084 182.6
[M+NH4]+ 340.20194 192.9
[M+K]+ 361.13128 181.4
[M+H-H2O]+ 305.16538 164.8
[M+HCOO]- 367.16632 191.3
[M+CH3COO]- 381.18197 219.2
[M+Na-2H]- 343.14279 179.8
[M]+ 322.16757 172.6
[M]- 322.16867 172.6
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

No patent data available for this compound.