CID 3654428

361193-97-7

Structural Information

Molecular Formula
C26H29N3O4
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C26H29N3O4/c1-15-21(25(31)29-20-11-6-7-12-27-20)22(16-9-8-10-19(32-4)24(16)33-5)23-17(28-15)13-26(2,3)14-18(23)30/h6-12,22,28H,13-14H2,1-5H3,(H,27,29,31)
InChIKey
TVTGQSHZEOFGNO-UHFFFAOYSA-N
Compound name
4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

447.21582 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.22310 211.0
[M+Na]+ 470.20504 224.7
[M+NH4]+ 465.24964 217.7
[M+K]+ 486.17898 215.5
[M-H]- 446.20854 216.0
[M+Na-2H]- 468.19049 218.2
[M]+ 447.21527 214.4
[M]- 447.21637 214.4
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.