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 201.4
[M+Na]+ 424.19955 208.0
[M-H]- 400.20305 207.6
[M+NH4]+ 419.24415 211.3
[M+K]+ 440.17349 200.9
[M+H-H2O]+ 384.20759 190.1
[M+HCOO]- 446.20853 215.0
[M+CH3COO]- 460.22418 209.0
[M+Na-2H]- 422.18500 201.9
[M]+ 401.20978 197.8
[M]- 401.21088 197.8
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.