CID 3058749

Selprazine

Structural Information

Molecular Formula
C24H31N3O3
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C24H31N3O3/c1-2-29-23-7-4-3-6-22(23)27-15-13-26(14-16-27)12-5-17-30-20-9-10-21-19(18-20)8-11-24(28)25-21/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3,(H,25,28)
InChIKey
PSFSFRWKLXZAQY-UHFFFAOYSA-N
Compound name
6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

409.23654 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.243816 203.2
[M+Na]+ 432.225758 205.7
[M-H]- 408.229264 205.9
[M+NH4]+ 427.270363 208.7
[M+K]+ 448.199698 198.9
[M+H-H2O]+ 392.233800 189.9
[M+HCOO]- 454.234741 212.7
[M+CH3COO]- 468.250391 208.4
[M+Na-2H]- 430.211206 203.0
[M]+ 409.23599142 198.8
[M]- 409.23708858 198.8
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