CID 42351

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

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)NC
InChI
InChI=1S/C13H17ClN2O2/c1-8(15-3)7-16-11-6-10(14)4-5-12(11)18-9(2)13(16)17/h4-6,8-9,15H,7H2,1-3H3
InChIKey
NYPSGKKQEZXVMM-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-4-[2-(methylamino)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]+ 269.105146 160.9
[M+Na]+ 291.087088 169.6
[M-H]- 267.090594 164.6
[M+NH4]+ 286.131693 177.0
[M+K]+ 307.061028 166.3
[M+H-H2O]+ 251.095130 154.5
[M+HCOO]- 313.096071 174.8
[M+CH3COO]- 327.111721 201.7
[M+Na-2H]- 289.072536 164.7
[M]+ 268.09732142 163.7
[M]- 268.09841858 163.7
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.