CID 3040332

4-(2,3-dihydroxypropyl)-6-methoxy-2-methyl-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula
C13H17NO5
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)OC)CC(CO)O
InChI
InChI=1S/C13H17NO5/c1-8-13(17)14(6-9(16)7-15)11-5-10(18-2)3-4-12(11)19-8/h3-5,8-9,15-16H,6-7H2,1-2H3
InChIKey
JTGYANNQAYVGBS-UHFFFAOYSA-N
Compound name
4-(2,3-dihydroxypropyl)-6-methoxy-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.1107 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 159.4
[M+Na]+ 290.09992 170.5
[M+NH4]+ 285.14452 165.2
[M+K]+ 306.07386 166.7
[M-H]- 266.10342 160.1
[M+Na-2H]- 288.08537 160.9
[M]+ 267.11015 160.9
[M]- 267.11125 160.9
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

patents stripe