CID 6448094

6-(4-(4-(2-ethoxyphenyl)-1-piperazinyl)-1-butenyl)carbostyril

Structural Information

Molecular Formula
C25H29N3O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CC/C=C/C3=CC4=C(C=C3)NC(=O)C=C4
InChI
InChI=1S/C25H29N3O2/c1-2-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-10-12-22-21(19-20)11-13-25(29)26-22/h3-5,7-13,19H,2,6,14-18H2,1H3,(H,26,29)/b7-5+
InChIKey
WTQXWMCWQHOPRX-FNORWQNLSA-N
Compound name
6-[(E)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]but-1-enyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

403.22598 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.233256 202.9
[M+Na]+ 426.215198 207.6
[M-H]- 402.218704 206.3
[M+NH4]+ 421.259803 209.0
[M+K]+ 442.189138 198.8
[M+H-H2O]+ 386.223240 189.7
[M+HCOO]- 448.224181 214.9
[M+CH3COO]- 462.239831 209.0
[M+Na-2H]- 424.200646 204.0
[M]+ 403.22543142 199.5
[M]- 403.22652858 199.5
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

patents stripe