CID 3080017

Brn 4511860

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 188.4
[M+Na]+ 368.20972 192.9
[M-H]- 344.21322 193.2
[M+NH4]+ 363.25432 197.5
[M+K]+ 384.18366 185.6
[M+H-H2O]+ 328.21776 175.6
[M+HCOO]- 390.21870 201.0
[M+CH3COO]- 404.23435 195.9
[M+Na-2H]- 366.19517 190.5
[M]+ 345.21995 183.9
[M]- 345.22105 183.9
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

No patent data available for this compound.