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]+ 323.13902 175.9
[M+Na]+ 345.12096 182.4
[M-H]- 321.12446 185.2
[M+NH4]+ 340.16556 188.4
[M+K]+ 361.09490 179.4
[M+H-H2O]+ 305.12900 166.3
[M+HCOO]- 367.12994 199.3
[M+CH3COO]- 381.14559 207.6
[M+Na-2H]- 343.10641 179.5
[M]+ 322.13119 178.8
[M]- 322.13229 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