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 168.9
[M+Na]+ 326.09992 175.2
[M-H]- 302.10342 175.6
[M+NH4]+ 321.14452 183.4
[M+K]+ 342.07386 174.6
[M+H-H2O]+ 286.10796 162.5
[M+HCOO]- 348.10890 189.9
[M+CH3COO]- 362.12455 201.8
[M+Na-2H]- 324.08537 171.9
[M]+ 303.11015 172.1
[M]- 303.11125 172.1
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

patents stripe