CID 6448086

80834-59-9

Structural Information

Molecular Formula
C25H31N3O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CC/C=C/C3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C25H31N3O2/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/h3-5,7-10,12,19H,2,6,11,13-18H2,1H3,(H,26,29)/b7-5+
InChIKey
PPOSVGXTYKCAPK-FNORWQNLSA-N
Compound name
6-[(E)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

405.24164 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 204.4
[M+Na]+ 428.23086 207.0
[M-H]- 404.23436 207.0
[M+NH4]+ 423.27546 210.2
[M+K]+ 444.20480 198.7
[M+H-H2O]+ 388.23890 191.2
[M+HCOO]- 450.23984 213.6
[M+CH3COO]- 464.25549 209.4
[M+Na-2H]- 426.21631 203.4
[M]+ 405.24109 198.2
[M]- 405.24219 198.2
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