CID 245081

6633-01-8

Structural Information

Molecular Formula
C23H34ClN3
SMILES
CCCCN(CCCC)C1CCC(CC1)NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C23H34ClN3/c1-3-5-15-27(16-6-4-2)20-10-8-19(9-11-20)26-22-13-14-25-23-17-18(24)7-12-21(22)23/h7,12-14,17,19-20H,3-6,8-11,15-16H2,1-2H3,(H,25,26)
InChIKey
UVQYNXBFQQSKNC-UHFFFAOYSA-N
Compound name
4-N,4-N-dibutyl-1-N-(7-chloroquinolin-4-yl)cyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.24414 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.25142 198.3
[M+Na]+ 410.23336 201.1
[M-H]- 386.23686 203.3
[M+NH4]+ 405.27796 210.2
[M+K]+ 426.20730 194.4
[M+H-H2O]+ 370.24140 188.1
[M+HCOO]- 432.24234 211.5
[M+CH3COO]- 446.25799 230.2
[M+Na-2H]- 408.21881 199.0
[M]+ 387.24359 198.6
[M]- 387.24469 198.6
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.