CID 2893341

361193-78-4

Structural Information

Molecular Formula
C25H27N3O4
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=C(C=CC(=C4)OC)OC)C(=O)CCC3)C
InChI
InChI=1S/C25H27N3O4/c1-14-7-5-10-21(26-14)28-25(30)22-15(2)27-18-8-6-9-19(29)24(18)23(22)17-13-16(31-3)11-12-20(17)32-4/h5,7,10-13,23,27H,6,8-9H2,1-4H3,(H,26,28,30)
InChIKey
XDMXAGBKZMJCJN-UHFFFAOYSA-N
Compound name
4-(2,5-dimethoxyphenyl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.20016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.20744 207.7
[M+Na]+ 456.18938 213.4
[M-H]- 432.19288 213.9
[M+NH4]+ 451.23398 214.2
[M+K]+ 472.16332 207.7
[M+H-H2O]+ 416.19742 195.9
[M+HCOO]- 478.19836 221.4
[M+CH3COO]- 492.21401 233.6
[M+Na-2H]- 454.17483 206.7
[M]+ 433.19961 207.0
[M]- 433.20071 207.0
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.