CID 459695

2-(m-chlorophenyl)-4-(4-diethylamino-1-methylbutylamino)-6-methyl-quinoline

Structural Information

Molecular Formula
C25H32ClN3
SMILES
CCN(CC)CCCC(C)NC1=CC(=NC2=C1C=C(C=C2)C)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C25H32ClN3/c1-5-29(6-2)14-8-9-19(4)27-25-17-24(20-10-7-11-21(26)16-20)28-23-13-12-18(3)15-22(23)25/h7,10-13,15-17,19H,5-6,8-9,14H2,1-4H3,(H,27,28)
InChIKey
BFTQXPOQYMYTKI-UHFFFAOYSA-N
Compound name
4-N-[2-(3-chlorophenyl)-6-methylquinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2285 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.23578 205.3
[M+Na]+ 432.21772 210.8
[M-H]- 408.22122 211.5
[M+NH4]+ 427.26232 216.7
[M+K]+ 448.19166 203.8
[M+H-H2O]+ 392.22576 195.0
[M+HCOO]- 454.22670 221.0
[M+CH3COO]- 468.24235 237.0
[M+Na-2H]- 430.20317 206.0
[M]+ 409.22795 210.4
[M]- 409.22905 210.4
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.