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]+ 323.152076 177.5
[M+Na]+ 345.134018 183.4
[M-H]- 321.137524 181.4
[M+NH4]+ 340.178623 189.4
[M+K]+ 361.107958 179.2
[M+H-H2O]+ 305.142060 168.3
[M+HCOO]- 367.143001 184.6
[M+CH3COO]- 381.158651 208.4
[M+Na-2H]- 343.119466 177.9
[M]+ 322.14425142 175.9
[M]- 322.14534858 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.