CID 4154167

361194-60-7

Structural Information

Molecular Formula
C25H26ClN3O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=CC=C4Cl)C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C25H26ClN3O2/c1-14-8-7-11-20(27-14)29-24(31)21-15(2)28-18-12-25(3,4)13-19(30)23(18)22(21)16-9-5-6-10-17(16)26/h5-11,22,28H,12-13H2,1-4H3,(H,27,29,31)
InChIKey
IDVCFAKZRPSEMC-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-2,7,7-trimethyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.17136 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17864 206.8
[M+Na]+ 458.16058 222.7
[M+NH4]+ 453.20518 215.2
[M+K]+ 474.13452 211.6
[M-H]- 434.16408 212.9
[M+Na-2H]- 456.14603 215.1
[M]+ 435.17081 211.3
[M]- 435.17191 211.3
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.