CID 459694

7-chloro-n-[4-[(isobutylamino)methyl]phenyl]quinolin-4-amine

Structural Information

Molecular Formula
C20H22ClN3
SMILES
CC(C)CNCC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C20H22ClN3/c1-14(2)12-22-13-15-3-6-17(7-4-15)24-19-9-10-23-20-11-16(21)5-8-18(19)20/h3-11,14,22H,12-13H2,1-2H3,(H,23,24)
InChIKey
LQLWWYHRLOIUAK-UHFFFAOYSA-N
Compound name
7-chloro-N-[4-[(2-methylpropylamino)methyl]phenyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.15024 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15752 181.3
[M+Na]+ 362.13946 188.2
[M-H]- 338.14296 186.8
[M+NH4]+ 357.18406 194.8
[M+K]+ 378.11340 180.8
[M+H-H2O]+ 322.14750 172.3
[M+HCOO]- 384.14844 198.5
[M+CH3COO]- 398.16409 191.2
[M+Na-2H]- 360.12491 186.4
[M]+ 339.14969 183.3
[M]- 339.15079 183.3
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.