CID 494846

Nsc633852

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
CC1=C(C2=C(C=CC(=C2)Cl)N=C1N3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C20H19ClN2O/c1-14-19(15-5-3-2-4-6-15)17-13-16(21)7-8-18(17)22-20(14)23-9-11-24-12-10-23/h2-8,13H,9-12H2,1H3
InChIKey
XIPISGAGLNSPPU-UHFFFAOYSA-N
Compound name
4-(6-chloro-3-methyl-4-phenylquinolin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1186 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 181.7
[M+Na]+ 361.10782 189.8
[M-H]- 337.11132 189.1
[M+NH4]+ 356.15242 192.5
[M+K]+ 377.08176 183.4
[M+H-H2O]+ 321.11586 170.4
[M+HCOO]- 383.11680 192.3
[M+CH3COO]- 397.13245 191.3
[M+Na-2H]- 359.09327 185.5
[M]+ 338.11805 181.1
[M]- 338.11915 181.1
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.