CID 3080010

126921-27-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.2205 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.227776 189.7
[M+Na]+ 368.209718 195.5
[M-H]- 344.213224 194.7
[M+NH4]+ 363.254323 199.1
[M+K]+ 384.183658 187.6
[M+H-H2O]+ 328.217760 176.7
[M+HCOO]- 390.218701 203.2
[M+CH3COO]- 404.234351 197.5
[M+Na-2H]- 366.195166 192.0
[M]+ 345.21995142 186.0
[M]- 345.22104858 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