CID 3044526

6-chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2h-1,4-benzoxazin-3(4h)-one monohydrochloride

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
C1CCN(C1)CCN2C3=C(C=CC(=C3)Cl)OC(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H21ClN2O2/c21-16-8-9-18-17(14-16)23(13-12-22-10-4-5-11-22)20(24)19(25-18)15-6-2-1-3-7-15/h1-3,6-9,14,19H,4-5,10-13H2
InChIKey
DWCSNMNFVUGSGU-UHFFFAOYSA-N
Compound name
6-chloro-2-phenyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12915 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13643 186.3
[M+Na]+ 379.11837 193.4
[M-H]- 355.12187 193.7
[M+NH4]+ 374.16297 198.1
[M+K]+ 395.09231 187.3
[M+H-H2O]+ 339.12641 176.1
[M+HCOO]- 401.12735 196.8
[M+CH3COO]- 415.14300 195.5
[M+Na-2H]- 377.10382 186.1
[M]+ 356.12860 185.8
[M]- 356.12970 185.8
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.