CID 408371

Tcmdc-142279

Structural Information

Molecular Formula
C24H30ClN3O
SMILES
CCCCN(CCCC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
InChI
InChI=1S/C24H30ClN3O/c1-3-5-13-28(14-6-4-2)17-18-15-20(8-10-24(18)29)27-22-11-12-26-23-16-19(25)7-9-21(22)23/h7-12,15-16,29H,3-6,13-14,17H2,1-2H3,(H,26,27)
InChIKey
GQIRBPMFKDRVPW-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]-2-[(dibutylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

411.20773 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21501 203.0
[M+Na]+ 434.19695 208.7
[M-H]- 410.20045 208.1
[M+NH4]+ 429.24155 213.6
[M+K]+ 450.17089 201.3
[M+H-H2O]+ 394.20499 193.0
[M+HCOO]- 456.20593 218.8
[M+CH3COO]- 470.22158 232.9
[M+Na-2H]- 432.18240 205.2
[M]+ 411.20718 208.0
[M]- 411.20828 208.0
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