CID 42331

4h-1,4-benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-diethylaminopropyl)-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCN(CC)CCCN1C2=C(C=CC(=C2)Cl)OC(C1=O)C
InChI
InChI=1S/C16H23ClN2O2/c1-4-18(5-2)9-6-10-19-14-11-13(17)7-8-15(14)21-12(3)16(19)20/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKey
GMQXKBMLGHVCMI-UHFFFAOYSA-N
Compound name
6-chloro-4-[3-(diethylamino)propyl]-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.152076 174.7
[M+Na]+ 333.134018 182.4
[M-H]- 309.137524 179.2
[M+NH4]+ 328.178623 189.7
[M+K]+ 349.107958 179.3
[M+H-H2O]+ 293.142060 167.3
[M+HCOO]- 355.143001 189.0
[M+CH3COO]- 369.158651 213.1
[M+Na-2H]- 331.119466 177.3
[M]+ 310.14425142 180.3
[M]- 310.14534858 180.3
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.