CID 42315

4h-1,4-benzoxazin-3-one, 2,3-dihydro-4-(2-diethylaminoethyl)-2,6-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCN(CC)CCN1C2=C(C=CC(=C2)C)OC(C1=O)C
InChI
InChI=1S/C16H24N2O2/c1-5-17(6-2)9-10-18-14-11-12(3)7-8-15(14)20-13(4)16(18)19/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKey
KPKSXGJMVSCXKP-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethyl]-2,6-dimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.7
[M+Na]+ 299.17300 174.8
[M-H]- 275.17650 172.5
[M+NH4]+ 294.21760 183.3
[M+K]+ 315.14694 173.4
[M+H-H2O]+ 259.18104 159.7
[M+HCOO]- 321.18198 186.7
[M+CH3COO]- 335.19763 209.5
[M+Na-2H]- 297.15845 170.9
[M]+ 276.18323 171.3
[M]- 276.18433 171.3
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.