CID 42321

57462-70-1

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
CN(C)CCN1C2=C(C=CC(=C2)Cl)OC(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19ClN2O2/c1-20(2)10-11-21-15-12-14(19)8-9-16(15)23-17(18(21)22)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKey
WGEXLWUQGMTNAM-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(dimethylamino)ethyl]-2-phenyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.120776 178.0
[M+Na]+ 353.102718 186.2
[M-H]- 329.106224 185.8
[M+NH4]+ 348.147323 191.6
[M+K]+ 369.076658 182.2
[M+H-H2O]+ 313.110760 169.1
[M+HCOO]- 375.111701 193.1
[M+CH3COO]- 389.127351 214.9
[M+Na-2H]- 351.088166 181.9
[M]+ 330.11295142 181.9
[M]- 330.11404858 181.9
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.