CID 3071923

Brn 5829322

Structural Information

Molecular Formula
C20H18N2O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)COC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H18N2O4/c1-13-7-6-8-14(2)18(13)21-19(23)17-11-16(26-22-17)12-25-20(24)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,23)
InChIKey
DCUWASOYJMJYGN-UHFFFAOYSA-N
Compound name
[3-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazol-5-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 182.9
[M+Na]+ 373.11587 189.7
[M-H]- 349.11937 192.6
[M+NH4]+ 368.16047 194.3
[M+K]+ 389.08981 187.2
[M+H-H2O]+ 333.12391 173.5
[M+HCOO]- 395.12485 205.4
[M+CH3COO]- 409.14050 214.1
[M+Na-2H]- 371.10132 184.3
[M]+ 350.12610 186.7
[M]- 350.12720 186.7
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.