CID 3071922

Brn 5829028

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)COC(=O)C(C)(C)C
InChI
InChI=1S/C18H22N2O4/c1-11-7-6-8-12(2)15(11)19-16(21)14-9-13(24-20-14)10-23-17(22)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,21)
InChIKey
BKORYSMNTUFAAN-UHFFFAOYSA-N
Compound name
[3-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazol-5-yl]methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 179.2
[M+Na]+ 353.14718 186.2
[M-H]- 329.15068 186.0
[M+NH4]+ 348.19178 192.3
[M+K]+ 369.12112 185.1
[M+H-H2O]+ 313.15522 171.7
[M+HCOO]- 375.15616 199.6
[M+CH3COO]- 389.17181 211.9
[M+Na-2H]- 351.13263 180.7
[M]+ 330.15741 184.5
[M]- 330.15851 184.5
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.