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]+ 331.12078 178.0
[M+Na]+ 353.10272 186.2
[M-H]- 329.10622 185.8
[M+NH4]+ 348.14732 191.6
[M+K]+ 369.07666 182.2
[M+H-H2O]+ 313.11076 169.1
[M+HCOO]- 375.11170 193.1
[M+CH3COO]- 389.12735 214.9
[M+Na-2H]- 351.08817 181.9
[M]+ 330.11295 181.9
[M]- 330.11405 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.