CID 2818306

Oprea1_423086

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C#N
InChI
InChI=1S/C22H26N2O4/c1-12-14(11-23)19(20-15(24-12)9-22(2,3)10-16(20)25)13-7-17(26-4)21(28-6)18(8-13)27-5/h7-8,19,24H,9-10H2,1-6H3
InChIKey
RAYJVLGQSBDKCZ-UHFFFAOYSA-N
Compound name
2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 190.0
[M+Na]+ 405.17849 201.4
[M-H]- 381.18199 194.2
[M+NH4]+ 400.22309 202.3
[M+K]+ 421.15243 194.5
[M+H-H2O]+ 365.18653 176.0
[M+HCOO]- 427.18747 202.2
[M+CH3COO]- 441.20312 230.9
[M+Na-2H]- 403.16394 189.5
[M]+ 382.18872 187.9
[M]- 382.18982 187.9
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

No patent data available for this compound.