CID 42325

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

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCCNC
InChI
InChI=1S/C13H17ClN2O2/c1-9-13(17)16(7-3-6-15-2)11-8-10(14)4-5-12(11)18-9/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKey
GWVKWPGRKRXQGR-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-4-[3-(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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.105146 160.9
[M+Na]+ 291.087088 169.9
[M-H]- 267.090594 164.5
[M+NH4]+ 286.131693 177.1
[M+K]+ 307.061028 166.1
[M+H-H2O]+ 251.095130 154.3
[M+HCOO]- 313.096071 175.8
[M+CH3COO]- 327.111721 200.8
[M+Na-2H]- 289.072536 165.9
[M]+ 268.09732142 164.3
[M]- 268.09841858 164.3
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.