CID 498059

Nsc56611

Structural Information

Molecular Formula
C24H30ClN3
SMILES
CCN(CC)CCCC(C)NC1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C24H30ClN3/c1-4-28(5-2)15-9-10-18(3)26-24-17-22(19-11-7-6-8-12-19)27-23-16-20(25)13-14-21(23)24/h6-8,11-14,16-18H,4-5,9-10,15H2,1-3H3,(H,26,27)
InChIKey
SEDUQYVBGBSJEO-UHFFFAOYSA-N
Compound name
4-N-(7-chloro-2-phenylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

395.21283 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22011 200.1
[M+Na]+ 418.20205 205.2
[M-H]- 394.20555 206.2
[M+NH4]+ 413.24665 211.8
[M+K]+ 434.17599 198.3
[M+H-H2O]+ 378.21009 189.9
[M+HCOO]- 440.21103 216.3
[M+CH3COO]- 454.22668 232.9
[M+Na-2H]- 416.18750 202.2
[M]+ 395.21228 204.5
[M]- 395.21338 204.5
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.