CID 82275245

2-{4-[(tert-butoxy)carbonyl]-3,4-dihydro-2h-1,4-benzoxazin-3-yl}acetic acid

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)N1C(COC2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-10(8-13(17)18)9-20-12-7-5-4-6-11(12)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKey
RWEXVSSPPAITRB-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.133576 166.4
[M+Na]+ 316.115518 172.3
[M-H]- 292.119024 168.4
[M+NH4]+ 311.160123 179.5
[M+K]+ 332.089458 171.9
[M+H-H2O]+ 276.123560 159.7
[M+HCOO]- 338.124501 180.1
[M+CH3COO]- 352.140151 199.1
[M+Na-2H]- 314.100966 170.6
[M]+ 293.12575142 168.3
[M]- 293.12684858 168.3
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.