CID 42329

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

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CN(C)CCCN1C(=O)COC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O2/c1-15(2)6-3-7-16-11-8-10(14)4-5-12(11)18-9-13(16)17/h4-5,8H,3,6-7,9H2,1-2H3
InChIKey
LNFPOBQPAWJNIH-UHFFFAOYSA-N
Compound name
6-chloro-4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 158.9
[M+Na]+ 291.08709 172.4
[M+NH4]+ 286.13169 167.3
[M+K]+ 307.06103 165.2
[M-H]- 267.09059 162.9
[M+Na-2H]- 289.07254 163.8
[M]+ 268.09732 162.2
[M]- 268.09842 162.2
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.