CID 42349

4h-1,4-benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-piperidinopropyl)-, oxalate

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)N3CCCCC3
InChI
InChI=1S/C17H23ClN2O2/c1-12(19-8-4-3-5-9-19)11-20-15-10-14(18)6-7-16(15)22-13(2)17(20)21/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3
InChIKey
GHFOXERBVJTAPM-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-4-(2-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1448 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 177.5
[M+Na]+ 345.13402 183.4
[M-H]- 321.13752 181.4
[M+NH4]+ 340.17862 189.4
[M+K]+ 361.10796 179.2
[M+H-H2O]+ 305.14206 168.3
[M+HCOO]- 367.14300 184.6
[M+CH3COO]- 381.15865 208.4
[M+Na-2H]- 343.11947 177.9
[M]+ 322.14425 175.9
[M]- 322.14535 175.9
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.