CID 2938123

476483-12-2

Structural Information

Molecular Formula
C29H28N4O3
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=CC=N4)C(=O)CC(C3)C5=CC=C(C=C5)OC)C
InChI
InChI=1S/C29H28N4O3/c1-17-7-6-9-25(31-17)33-29(35)26-18(2)32-23-15-20(19-10-12-21(36-3)13-11-19)16-24(34)27(23)28(26)22-8-4-5-14-30-22/h4-14,20,28,32H,15-16H2,1-3H3,(H,31,33,35)
InChIKey
GADZTLBVMSQHHH-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-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

480.21616 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.223436 221.8
[M+Na]+ 503.205378 226.9
[M-H]- 479.208884 229.2
[M+NH4]+ 498.249983 224.1
[M+K]+ 519.179318 218.8
[M+H-H2O]+ 463.213420 207.4
[M+HCOO]- 525.214361 233.5
[M+CH3COO]- 539.230011 227.0
[M+Na-2H]- 501.190826 221.0
[M]+ 480.21561142 218.5
[M]- 480.21670858 218.5
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.