CID 58993409

864075-92-3

Structural Information

Molecular Formula
C16H17NO5
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C16H17NO5/c1-16(2,3)22-15(20)17-11-6-4-10(5-7-11)12-8-9-13(21-12)14(18)19/h4-9H,1-3H3,(H,17,20)(H,18,19)
InChIKey
OSRWSEOLCQIDEY-UHFFFAOYSA-N
Compound name
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

303.1107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 169.1
[M+Na]+ 326.09992 178.5
[M+NH4]+ 321.14452 174.2
[M+K]+ 342.07386 177.5
[M-H]- 302.10342 171.2
[M+Na-2H]- 324.08537 173.3
[M]+ 303.11015 170.7
[M]- 303.11125 170.7
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