CID 215377

35629-54-0

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CCNC(=O)NC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O2/c1-2-19-17(22)21-18-20-15(13-9-5-3-6-10-13)16(23-18)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,19,20,21,22)
InChIKey
FFMFKSDUIGJKCC-UHFFFAOYSA-N
Compound name
1-(4,5-diphenyl-1,3-oxazol-2-yl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13208 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 171.9
[M+Na]+ 330.12130 178.1
[M-H]- 306.12480 181.3
[M+NH4]+ 325.16590 184.7
[M+K]+ 346.09524 174.6
[M+H-H2O]+ 290.12934 162.3
[M+HCOO]- 352.13028 196.5
[M+CH3COO]- 366.14593 183.2
[M+Na-2H]- 328.10675 176.6
[M]+ 307.13153 172.4
[M]- 307.13263 172.4
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