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

literature stripe

Patent stripe

patents stripe