CID 2893193

362487-31-8

Structural Information

Molecular Formula
C29H27N3O3
SMILES
CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)CCC3)C
InChI
InChI=1S/C29H27N3O3/c1-18-14-15-30-25(16-18)32-29(34)26-19(2)31-23-12-7-13-24(33)28(23)27(26)20-8-6-11-22(17-20)35-21-9-4-3-5-10-21/h3-6,8-11,14-17,27,31H,7,12-13H2,1-2H3,(H,30,32,34)
InChIKey
ICIXDNZMXFFNDM-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.20523 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.21251 216.0
[M+Na]+ 488.19445 220.2
[M-H]- 464.19795 224.3
[M+NH4]+ 483.23905 220.0
[M+K]+ 504.16839 212.4
[M+H-H2O]+ 448.20249 202.2
[M+HCOO]- 510.20343 229.1
[M+CH3COO]- 524.21908 221.7
[M+Na-2H]- 486.17990 215.8
[M]+ 465.20468 211.7
[M]- 465.20578 211.7
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.