CID 3381815

4-(4-chlorophenyl)-2,7,7-trimethyl-n-(6-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C25H26ClN3O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)Cl)C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C25H26ClN3O2/c1-14-6-5-7-20(27-14)29-24(31)21-15(2)28-18-12-25(3,4)13-19(30)23(18)22(21)16-8-10-17(26)11-9-16/h5-11,22,28H,12-13H2,1-4H3,(H,27,29,31)
InChIKey
YAMQNFIPIVPJBW-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-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]+ 436.178636 207.3
[M+Na]+ 458.160578 215.5
[M-H]- 434.164084 213.6
[M+NH4]+ 453.205183 217.1
[M+K]+ 474.134518 207.3
[M+H-H2O]+ 418.168620 196.7
[M+HCOO]- 480.169561 216.4
[M+CH3COO]- 494.185211 214.8
[M+Na-2H]- 456.146026 206.6
[M]+ 435.17081142 206.7
[M]- 435.17190858 206.7
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.