CID 36349

Brn 1225068

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CCOC(=O)NCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/c1-2-23-19(22)20-13-16-21-17(14-9-5-3-6-10-14)18(24-16)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,20,22)
InChIKey
HIMVUGDRFOKJMR-UHFFFAOYSA-N
Compound name
ethyl N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.13174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 175.9
[M+Na]+ 345.120958 182.4
[M-H]- 321.124464 185.2
[M+NH4]+ 340.165563 188.4
[M+K]+ 361.094898 179.4
[M+H-H2O]+ 305.129000 166.3
[M+HCOO]- 367.129941 199.3
[M+CH3COO]- 381.145591 207.6
[M+Na-2H]- 343.106406 179.5
[M]+ 322.13119142 178.8
[M]- 322.13228858 178.8
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

patents stripe