CID 118848

Urea, 1-(o-chlorophenyl)-3-(2-oxazolyl)-

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
C1=CC=C(C(=C1)NC(=O)NC2=NC=CO2)Cl
InChI
InChI=1S/C10H8ClN3O2/c11-7-3-1-2-4-8(7)13-9(15)14-10-12-5-6-16-10/h1-6H,(H2,12,13,14,15)
InChIKey
LPQDBWXROSWZMP-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(1,3-oxazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03778 149.7
[M+Na]+ 260.01972 157.9
[M-H]- 236.02322 156.1
[M+NH4]+ 255.06432 166.5
[M+K]+ 275.99366 155.0
[M+H-H2O]+ 220.02776 142.3
[M+HCOO]- 282.02870 171.0
[M+CH3COO]- 296.04435 190.1
[M+Na-2H]- 258.00517 156.4
[M]+ 237.02995 151.7
[M]- 237.03105 151.7
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