CID 1526575

3-ethyl-1-(5-methyl-1,2-oxazol-3-yl)urea

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCNC(=O)NC1=NOC(=C1)C
InChI
InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKey
OLTOJZGRSVNYRB-UHFFFAOYSA-N
Compound name
1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

169.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.7
[M+Na]+ 192.07435 143.1
[M-H]- 168.07785 139.1
[M+NH4]+ 187.11895 154.9
[M+K]+ 208.04829 143.4
[M+H-H2O]+ 152.08239 128.8
[M+HCOO]- 214.08333 161.1
[M+CH3COO]- 228.09898 181.6
[M+Na-2H]- 190.05980 142.2
[M]+ 169.08458 136.9
[M]- 169.08568 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe