CID 52485

73791-21-6

Structural Information

Molecular Formula
C21H25N3O
SMILES
CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)C)O
InChI
InChI=1S/C21H25N3O/c1-4-24(5-2)14-16-13-17(7-9-21(16)25)23-19-10-11-22-20-12-15(3)6-8-18(19)20/h6-13,25H,4-5,14H2,1-3H3,(H,22,23)
InChIKey
HIQOZHUWDJFFNV-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)-4-[(7-methylquinolin-4-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

335.19977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 183.8
[M+Na]+ 358.18899 198.2
[M+NH4]+ 353.23359 192.0
[M+K]+ 374.16293 189.2
[M-H]- 334.19249 190.0
[M+Na-2H]- 356.17444 192.2
[M]+ 335.19922 187.7
[M]- 335.20032 187.7
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