CID 135429336

Schembl6449123

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC1=C(N=CC=C1)C2=CC(=NO2)C3=C(C=CC(=C3)OC)O
InChI
InChI=1S/C16H14N2O3/c1-10-4-3-7-17-16(10)15-9-13(18-21-15)12-8-11(20-2)5-6-14(12)19/h3-9,19H,1-2H3
InChIKey
FARVPNXFQWLJKS-UHFFFAOYSA-N
Compound name
4-methoxy-2-[5-(3-methylpyridin-2-yl)-1,2-oxazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.3
[M+Na]+ 305.08965 173.5
[M-H]- 281.09315 171.1
[M+NH4]+ 300.13425 176.4
[M+K]+ 321.06359 170.1
[M+H-H2O]+ 265.09769 154.4
[M+HCOO]- 327.09863 184.7
[M+CH3COO]- 341.11428 175.9
[M+Na-2H]- 303.07510 167.2
[M]+ 282.09988 166.9
[M]- 282.10098 166.9
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

patents stripe