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]+ 348.170676 184.0
[M+Na]+ 370.152618 189.0
[M-H]- 346.156124 191.4
[M+NH4]+ 365.197223 192.7
[M+K]+ 386.126558 184.3
[M+H-H2O]+ 330.160660 172.1
[M+HCOO]- 392.161601 199.5
[M+CH3COO]- 406.177251 192.6
[M+Na-2H]- 368.138066 188.5
[M]+ 347.16285142 180.5
[M]- 347.16394858 180.5
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.