CID 118846

Urea, 1-isopropyl-3-(2-oxazolyl)-

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC(C)NC(=O)NC1=NC=CO1
InChI
InChI=1S/C7H11N3O2/c1-5(2)9-6(11)10-7-8-3-4-12-7/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKey
GSRJCDLPHKEVFW-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-2-yl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.6
[M+Na]+ 192.07435 142.8
[M-H]- 168.07785 139.7
[M+NH4]+ 187.11895 155.4
[M+K]+ 208.04829 143.6
[M+H-H2O]+ 152.08239 129.5
[M+HCOO]- 214.08333 161.0
[M+CH3COO]- 228.09898 181.3
[M+Na-2H]- 190.05980 142.5
[M]+ 169.08458 136.7
[M]- 169.08568 136.7
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