CID 15958514

En300-1852483

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CN1C=C(C2=CC=CC=C21)C3=CC(=NO3)C(=O)O
InChI
InChI=1S/C13H10N2O3/c1-15-7-9(8-4-2-3-5-11(8)15)12-6-10(13(16)17)14-18-12/h2-7H,1H3,(H,16,17)
InChIKey
FLNKNCNKGCXSBO-UHFFFAOYSA-N
Compound name
5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.06914 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 150.2
[M+Na]+ 265.05836 161.7
[M-H]- 241.06186 156.4
[M+NH4]+ 260.10296 168.0
[M+K]+ 281.03230 159.1
[M+H-H2O]+ 225.06640 143.6
[M+HCOO]- 287.06734 172.6
[M+CH3COO]- 301.08299 164.2
[M+Na-2H]- 263.04381 154.2
[M]+ 242.06859 154.9
[M]- 242.06969 154.9
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

No patent data available for this compound.