CID 5663

Vesnarinone

Structural Information

Molecular Formula
C22H25N3O4
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CC4)OC
InChI
InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
InChIKey
ZVNYJIZDIRKMBF-UHFFFAOYSA-N
Compound name
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

248
References

18502
Patents

395.1845 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 197.1
[M+Na]+ 418.17372 201.3
[M-H]- 394.17722 200.9
[M+NH4]+ 413.21832 203.4
[M+K]+ 434.14766 195.8
[M+H-H2O]+ 378.18176 184.8
[M+HCOO]- 440.18270 206.7
[M+CH3COO]- 454.19835 203.4
[M+Na-2H]- 416.15917 196.3
[M]+ 395.18395 192.8
[M]- 395.18505 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe