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-methyl-2-pyridinyl)-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]+ 402.217606 201.4
[M+Na]+ 424.199548 208.0
[M-H]- 400.203054 207.6
[M+NH4]+ 419.244153 211.3
[M+K]+ 440.173488 200.9
[M+H-H2O]+ 384.207590 190.1
[M+HCOO]- 446.208531 215.0
[M+CH3COO]- 460.224181 209.0
[M+Na-2H]- 422.184996 201.9
[M]+ 401.20978142 197.8
[M]- 401.21087858 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.