CID 27542701

N-(3-methylphenyl)-3-(morpholine-4-carbonyl)quinolin-4-amine

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC1=CC(=CC=C1)NC2=C(C=NC3=CC=CC=C32)C(=O)N4CCOCC4
InChI
InChI=1S/C21H21N3O2/c1-15-5-4-6-16(13-15)23-20-17-7-2-3-8-19(17)22-14-18(20)21(25)24-9-11-26-12-10-24/h2-8,13-14H,9-12H2,1H3,(H,22,23)
InChIKey
QQAFXPLUSPGLHQ-UHFFFAOYSA-N
Compound name
[4-(3-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 184.6
[M+Na]+ 370.15262 199.8
[M+NH4]+ 365.19722 192.5
[M+K]+ 386.12656 191.5
[M-H]- 346.15612 192.5
[M+Na-2H]- 368.13807 193.4
[M]+ 347.16285 189.0
[M]- 347.16395 189.0
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.