CID 416648

Nsc80519

Structural Information

Molecular Formula
C21H22ClN3O
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O
InChI
InChI=1S/C21H22ClN3O/c22-16-4-6-18-19(8-9-23-20(18)13-16)24-17-5-7-21(26)15(12-17)14-25-10-2-1-3-11-25/h4-9,12-13,26H,1-3,10-11,14H2,(H,23,24)
InChIKey
UJYGGGZVCNIHER-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]-2-(piperidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14514 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15242 187.3
[M+Na]+ 390.13436 193.4
[M-H]- 366.13786 192.5
[M+NH4]+ 385.17896 197.2
[M+K]+ 406.10830 185.0
[M+H-H2O]+ 350.14240 176.3
[M+HCOO]- 412.14334 198.2
[M+CH3COO]- 426.15899 195.2
[M+Na-2H]- 388.11981 190.8
[M]+ 367.14459 184.3
[M]- 367.14569 184.3
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.