CID 3077714

2h-1,4-benzoxazin-3(4h)-one, 4-methyl-7-(2-(4-morpholinylmethyl)-1-oxobutyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCC(CN1CCOCC1)C(=O)C2=CC3=C(C=C2)N(C(=O)CO3)C
InChI
InChI=1S/C18H24N2O4/c1-3-13(11-20-6-8-23-9-7-20)18(22)14-4-5-15-16(10-14)24-12-17(21)19(15)2/h4-5,10,13H,3,6-9,11-12H2,1-2H3
InChIKey
LKYXHERVBDCTNM-UHFFFAOYSA-N
Compound name
4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.180876 180.7
[M+Na]+ 355.162818 184.5
[M-H]- 331.166324 185.2
[M+NH4]+ 350.207423 189.3
[M+K]+ 371.136758 183.6
[M+H-H2O]+ 315.170860 170.7
[M+HCOO]- 377.171801 190.7
[M+CH3COO]- 391.187451 211.4
[M+Na-2H]- 353.148266 181.5
[M]+ 332.17305142 179.1
[M]- 332.17414858 179.1
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.