CID 3044973

57961-95-2

Structural Information

Molecular Formula
C23H27N3
SMILES
CC1=CC(=C(C=C1)C)N2CCN(CC2)CCC3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H27N3/c1-18-7-8-19(2)23(17-18)26-15-13-25(14-16-26)12-11-21-10-9-20-5-3-4-6-22(20)24-21/h3-10,17H,11-16H2,1-2H3
InChIKey
DIINSJBHAZVCSN-UHFFFAOYSA-N
Compound name
2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.2205 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22778 189.7
[M+Na]+ 368.20972 195.5
[M-H]- 344.21322 194.7
[M+NH4]+ 363.25432 199.1
[M+K]+ 384.18366 187.6
[M+H-H2O]+ 328.21776 176.7
[M+HCOO]- 390.21870 203.2
[M+CH3COO]- 404.23435 197.5
[M+Na-2H]- 366.19517 192.0
[M]+ 345.21995 186.0
[M]- 345.22105 186.0
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