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]+ 261.12338 159.6
[M+Na]+ 283.10532 168.5
[M-H]- 259.10882 165.5
[M+NH4]+ 278.14992 175.2
[M+K]+ 299.07926 166.2
[M+H-H2O]+ 243.11336 152.5
[M+HCOO]- 305.11430 181.9
[M+CH3COO]- 319.12995 197.4
[M+Na-2H]- 281.09077 161.9
[M]+ 260.11555 162.6
[M]- 260.11665 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.