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]+ 269.10515 160.9
[M+Na]+ 291.08709 169.9
[M-H]- 267.09059 164.5
[M+NH4]+ 286.13169 177.1
[M+K]+ 307.06103 166.1
[M+H-H2O]+ 251.09513 154.3
[M+HCOO]- 313.09607 175.8
[M+CH3COO]- 327.11172 200.8
[M+Na-2H]- 289.07254 165.9
[M]+ 268.09732 164.3
[M]- 268.09842 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.