CID 408572

Nsc 14225

Structural Information

Molecular Formula
C21H24ClN3O
SMILES
CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2C)Cl)O
InChI
InChI=1S/C21H24ClN3O/c1-4-25(5-2)13-15-10-17(7-9-20(15)26)24-21-14(3)12-23-19-11-16(22)6-8-18(19)21/h6-12,26H,4-5,13H2,1-3H3,(H,23,24)
InChIKey
MZPCIZJSUQXXIH-UHFFFAOYSA-N
Compound name
4-[(7-chloro-3-methylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.1608 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16808 190.3
[M+Na]+ 392.15002 198.5
[M-H]- 368.15352 196.5
[M+NH4]+ 387.19462 203.1
[M+K]+ 408.12396 191.7
[M+H-H2O]+ 352.15806 181.3
[M+HCOO]- 414.15900 207.3
[M+CH3COO]- 428.17465 225.4
[M+Na-2H]- 390.13547 193.4
[M]+ 369.16025 194.8
[M]- 369.16135 194.8
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.