CID 3073011

145440-90-0

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2=NOC(=C2)CO)C
InChI
InChI=1S/C14H16N2O3/c1-8-4-9(2)13(10(3)5-8)15-14(18)12-6-11(7-17)19-16-12/h4-6,17H,7H2,1-3H3,(H,15,18)
InChIKey
UEQPKDMRLWIDHE-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 159.6
[M+Na]+ 283.105318 168.5
[M-H]- 259.108824 165.5
[M+NH4]+ 278.149923 175.2
[M+K]+ 299.079258 166.2
[M+H-H2O]+ 243.113360 152.5
[M+HCOO]- 305.114301 181.9
[M+CH3COO]- 319.129951 197.4
[M+Na-2H]- 281.090766 161.9
[M]+ 260.11555142 162.6
[M]- 260.11664858 162.6
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.