CID 1569430

6-chloro-2-methyl-n-(4-propoxyphenyl)quinolin-4-amine

Structural Information

Molecular Formula
C19H19ClN2O
SMILES
CCCOC1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC(=C2)C)Cl
InChI
InChI=1S/C19H19ClN2O/c1-3-10-23-16-7-5-15(6-8-16)22-19-11-13(2)21-18-9-4-14(20)12-17(18)19/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)
InChIKey
NABHXIRXYQEKFK-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

326.1186 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12588 176.9
[M+Na]+ 349.10782 186.2
[M-H]- 325.11132 183.0
[M+NH4]+ 344.15242 191.5
[M+K]+ 365.08176 179.2
[M+H-H2O]+ 309.11586 168.0
[M+HCOO]- 371.11680 194.5
[M+CH3COO]- 385.13245 188.0
[M+Na-2H]- 347.09327 182.3
[M]+ 326.11805 181.4
[M]- 326.11915 181.4
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