CID 117489526

1259298-01-5

Structural Information

Molecular Formula
C15H16N2O5
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C15H16N2O5/c1-15(2,3)21-14(20)16-10-6-4-9(5-7-10)12-8-11(13(18)19)17-22-12/h4-8H,1-3H3,(H,16,20)(H,18,19)
InChIKey
JQZDYOJZRRPROQ-UHFFFAOYSA-N
Compound name
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11321 168.5
[M+Na]+ 327.09515 175.2
[M-H]- 303.09865 174.0
[M+NH4]+ 322.13975 181.5
[M+K]+ 343.06909 174.6
[M+H-H2O]+ 287.10319 161.3
[M+HCOO]- 349.10413 188.5
[M+CH3COO]- 363.11978 201.5
[M+Na-2H]- 325.08060 171.9
[M]+ 304.10538 171.8
[M]- 304.10648 171.8
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.