CID 5160365

476482-83-4

Structural Information

Molecular Formula
C29H28N4O3
SMILES
CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CN=CC=C4)C(=O)CC(C3)C5=CC=C(C=C5)OC)C
InChI
InChI=1S/C29H28N4O3/c1-17-6-11-25(31-15-17)33-29(35)26-18(2)32-23-13-21(19-7-9-22(36-3)10-8-19)14-24(34)28(23)27(26)20-5-4-12-30-16-20/h4-12,15-16,21,27,32H,13-14H2,1-3H3,(H,31,33,35)
InChIKey
GATIQHGWEISXEY-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-4-pyridin-3-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.22344 221.8
[M+Na]+ 503.20538 226.9
[M-H]- 479.20888 229.2
[M+NH4]+ 498.24998 224.1
[M+K]+ 519.17932 218.8
[M+H-H2O]+ 463.21342 207.4
[M+HCOO]- 525.21436 233.5
[M+CH3COO]- 539.23001 227.0
[M+Na-2H]- 501.19083 221.0
[M]+ 480.21561 218.5
[M]- 480.21671 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.