CID 494845

Nsc633851

Structural Information

Molecular Formula
C21H22ClN3
SMILES
CC1=C(C2=C(C=CC(=C2)Cl)N=C1N3CCN(CC3)C)C4=CC=CC=C4
InChI
InChI=1S/C21H22ClN3/c1-15-20(16-6-4-3-5-7-16)18-14-17(22)8-9-19(18)23-21(15)25-12-10-24(2)11-13-25/h3-9,14H,10-13H2,1-2H3
InChIKey
NZQWFHXJDJCBPA-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.15024 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15752 187.7
[M+Na]+ 374.13946 196.0
[M-H]- 350.14296 193.1
[M+NH4]+ 369.18406 198.1
[M+K]+ 390.11340 187.4
[M+H-H2O]+ 334.14750 175.5
[M+HCOO]- 396.14844 197.2
[M+CH3COO]- 410.16409 196.3
[M+Na-2H]- 372.12491 189.7
[M]+ 351.14969 186.1
[M]- 351.15079 186.1
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.