CID 453433

108199-09-3

Structural Information

Molecular Formula
C20H18ClN3O2
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C20H18ClN3O2/c21-15-3-6-17-18(7-8-22-19(17)13-15)23-16-4-1-14(2-5-16)20(25)24-9-11-26-12-10-24/h1-8,13H,9-12H2,(H,22,23)
InChIKey
YUYHJNGCLJBHQF-UHFFFAOYSA-N
Compound name
[4-[(7-chloroquinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.10876 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11604 186.0
[M+Na]+ 390.09798 192.2
[M-H]- 366.10148 193.3
[M+NH4]+ 385.14258 194.8
[M+K]+ 406.07192 186.4
[M+H-H2O]+ 350.10602 174.7
[M+HCOO]- 412.10696 197.2
[M+CH3COO]- 426.12261 194.6
[M+Na-2H]- 388.08343 190.5
[M]+ 367.10821 184.7
[M]- 367.10931 184.7
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.