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]+ 404.23326 202.9
[M+Na]+ 426.21520 207.6
[M-H]- 402.21870 206.3
[M+NH4]+ 421.25980 209.0
[M+K]+ 442.18914 198.8
[M+H-H2O]+ 386.22324 189.7
[M+HCOO]- 448.22418 214.9
[M+CH3COO]- 462.23983 209.0
[M+Na-2H]- 424.20065 204.0
[M]+ 403.22543 199.5
[M]- 403.22653 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