CID 36346

33161-68-1

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CCOC(=O)N(C)CC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3/c1-3-24-20(23)22(2)14-17-21-18(15-10-6-4-7-11-15)19(25-17)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3
InChIKey
ZSDJJQHPPOGMNW-UHFFFAOYSA-N
Compound name
ethyl N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.1474 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 180.9
[M+Na]+ 359.13662 187.1
[M-H]- 335.14012 191.5
[M+NH4]+ 354.18122 193.5
[M+K]+ 375.11056 185.3
[M+H-H2O]+ 319.14466 171.0
[M+HCOO]- 381.14560 204.5
[M+CH3COO]- 395.16125 213.8
[M+Na-2H]- 357.12207 183.3
[M]+ 336.14685 185.4
[M]- 336.14795 185.4
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

patents stripe