CID 3058761

75574-62-8

Structural Information

Molecular Formula
C25H33N3O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=C(C4=C(CC(CC4=O)(C)C)NC3=O)C
InChI
InChI=1S/C25H33N3O2/c1-17-7-5-6-8-21(17)28-13-11-27(12-14-28)10-9-19-18(2)23-20(26-24(19)30)15-25(3,4)16-22(23)29/h5-8H,9-16H2,1-4H3,(H,26,30)
InChIKey
FEAGVGFMNUKAQS-UHFFFAOYSA-N
Compound name
4,7,7-trimethyl-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-6,8-dihydro-1H-quinoline-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.25726 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.26454 206.2
[M+Na]+ 430.24648 212.8
[M-H]- 406.24998 210.5
[M+NH4]+ 425.29108 215.0
[M+K]+ 446.22042 205.1
[M+H-H2O]+ 390.25452 194.0
[M+HCOO]- 452.25546 215.4
[M+CH3COO]- 466.27111 212.8
[M+Na-2H]- 428.23193 204.1
[M]+ 407.25671 201.9
[M]- 407.25781 201.9
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.