CID 3076171

Brn 5818121

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1C(ON=C1C(=O)NC2=C(C=CC=C2C)C)C
InChI
InChI=1S/C14H18N2O2/c1-8-6-5-7-9(2)12(8)15-14(17)13-10(3)11(4)18-16-13/h5-7,10-11H,1-4H3,(H,15,17)
InChIKey
QRFYGTRSBAYBIW-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 157.5
[M+Na]+ 269.12605 166.0
[M-H]- 245.12955 164.3
[M+NH4]+ 264.17065 174.4
[M+K]+ 285.09999 164.1
[M+H-H2O]+ 229.13409 150.3
[M+HCOO]- 291.13503 179.6
[M+CH3COO]- 305.15068 198.0
[M+Na-2H]- 267.11150 159.2
[M]+ 246.13628 159.4
[M]- 246.13738 159.4
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.