CID 498039

Nsc11051

Structural Information

Molecular Formula
C22H34ClN3
SMILES
CCCCN(CCCC)CCCCNC1=C2C=CC(=CC2=NC=C1C)Cl
InChI
InChI=1S/C22H34ClN3/c1-4-6-13-26(14-7-5-2)15-9-8-12-24-22-18(3)17-25-21-16-19(23)10-11-20(21)22/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,24,25)
InChIKey
HRLSQSLEBMEDOI-UHFFFAOYSA-N
Compound name
N',N'-dibutyl-N-(7-chloro-3-methylquinolin-4-yl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.24414 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.25142 197.4
[M+Na]+ 398.23336 202.5
[M-H]- 374.23686 200.2
[M+NH4]+ 393.27796 210.6
[M+K]+ 414.20730 196.0
[M+H-H2O]+ 358.24140 188.4
[M+HCOO]- 420.24234 213.9
[M+CH3COO]- 434.25799 230.5
[M+Na-2H]- 396.21881 199.0
[M]+ 375.24359 204.2
[M]- 375.24469 204.2
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.