CID 2893588

361196-01-2

Structural Information

Molecular Formula
C25H26ClN3O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=CC=C4)Cl)C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C25H26ClN3O2/c1-14-7-5-10-20(27-14)29-24(31)21-15(2)28-18-12-25(3,4)13-19(30)23(18)22(21)16-8-6-9-17(26)11-16/h5-11,22,28H,12-13H2,1-4H3,(H,27,29,31)
InChIKey
KEFQWZYOJXNKTN-UHFFFAOYSA-N
Compound name
4-(3-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 207.3
[M+Na]+ 458.16058 215.5
[M-H]- 434.16408 213.6
[M+NH4]+ 453.20518 217.1
[M+K]+ 474.13452 207.3
[M+H-H2O]+ 418.16862 196.7
[M+HCOO]- 480.16956 216.4
[M+CH3COO]- 494.18521 214.8
[M+Na-2H]- 456.14603 206.6
[M]+ 435.17081 206.7
[M]- 435.17191 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.