CID 453052

133671-47-3

Structural Information

Molecular Formula
C19H20ClN3
SMILES
CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN3/c1-23(2)12-11-21-19-13-18(14-7-9-15(20)10-8-14)22-17-6-4-3-5-16(17)19/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKey
KJBCLIWQKOBNLG-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.13458 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14186 177.3
[M+Na]+ 348.12380 185.0
[M-H]- 324.12730 184.3
[M+NH4]+ 343.16840 192.0
[M+K]+ 364.09774 178.7
[M+H-H2O]+ 308.13184 168.0
[M+HCOO]- 370.13278 196.2
[M+CH3COO]- 384.14843 188.2
[M+Na-2H]- 346.10925 183.2
[M]+ 325.13403 180.6
[M]- 325.13513 180.6
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.