CID 3548120

354793-81-0

Structural Information

Molecular Formula
C25H27N3O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=CC=C4)C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C25H27N3O2/c1-15-9-8-12-20(26-15)28-24(30)21-16(2)27-18-13-25(3,4)14-19(29)23(18)22(21)17-10-6-5-7-11-17/h5-12,22,27H,13-14H2,1-4H3,(H,26,28,30)
InChIKey
UUMRCPJGUKODOM-UHFFFAOYSA-N
Compound name
2,7,7-trimethyl-N-(6-methylpyridin-2-yl)-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21761 200.8
[M+Na]+ 424.19955 215.5
[M+NH4]+ 419.24415 208.9
[M+K]+ 440.17349 205.1
[M-H]- 400.20305 206.7
[M+Na-2H]- 422.18500 209.3
[M]+ 401.20978 204.7
[M]- 401.21088 204.7
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.