CID 42309

57462-63-2

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCN(CC)CC
InChI
InChI=1S/C16H23ClN2O2/c1-4-14-16(20)19(10-9-18(5-2)6-3)13-11-12(17)7-8-15(13)21-14/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKey
HRQUQAJCCVZFTQ-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(diethylamino)ethyl]-2-ethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 174.7
[M+Na]+ 333.13402 182.4
[M-H]- 309.13752 179.2
[M+NH4]+ 328.17862 189.7
[M+K]+ 349.10796 179.3
[M+H-H2O]+ 293.14206 167.3
[M+HCOO]- 355.14300 189.0
[M+CH3COO]- 369.15865 213.1
[M+Na-2H]- 331.11947 177.3
[M]+ 310.14425 180.3
[M]- 310.14535 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.