CID 4137791

476482-80-1

Structural Information

Molecular Formula
C30H29N3O4
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)OC)C(=O)NC5=CC=CC=N5
InChI
InChI=1S/C30H29N3O4/c1-18-27(30(35)33-26-9-4-5-14-31-26)28(20-7-6-8-23(15-20)37-3)29-24(32-18)16-21(17-25(29)34)19-10-12-22(36-2)13-11-19/h4-15,21,28,32H,16-17H2,1-3H3,(H,31,33,35)
InChIKey
QFRKPZPSVYTXOR-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.21582 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.22310 223.8
[M+Na]+ 518.20504 228.0
[M-H]- 494.20854 232.3
[M+NH4]+ 513.24964 226.7
[M+K]+ 534.17898 221.2
[M+H-H2O]+ 478.21308 209.7
[M+HCOO]- 540.21402 236.6
[M+CH3COO]- 554.22967 229.1
[M+Na-2H]- 516.19049 222.5
[M]+ 495.21527 221.5
[M]- 495.21637 221.5
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

No patent data available for this compound.