CID 118568

33887-04-6

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)NC(=O)NC2=NC=CO2
InChI
InChI=1S/C10H9N3O2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
InChIKey
WRHGKVNXGAUMGD-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

203.06947 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 141.1
[M+Na]+ 226.058688 147.7
[M-H]- 202.062194 147.4
[M+NH4]+ 221.103293 158.2
[M+K]+ 242.032628 146.6
[M+H-H2O]+ 186.066730 133.1
[M+HCOO]- 248.067671 167.2
[M+CH3COO]- 262.083321 185.2
[M+Na-2H]- 224.044136 149.3
[M]+ 203.06892142 140.6
[M]- 203.07001858 140.6
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