CID 2824070

Oprea1_274167

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC
InChI
InChI=1S/C10H11N3O2/c1-6-12-8-4-3-7(5-9(8)15-6)13-10(14)11-2/h3-5H,1-2H3,(H2,11,13,14)
InChIKey
RYDBLBQQKQBVJV-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

16
Patents

205.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 142.3
[M+Na]+ 228.074348 151.9
[M-H]- 204.077854 147.3
[M+NH4]+ 223.118953 161.5
[M+K]+ 244.048288 150.6
[M+H-H2O]+ 188.082390 135.5
[M+HCOO]- 250.083331 168.1
[M+CH3COO]- 264.098981 189.0
[M+Na-2H]- 226.059796 150.6
[M]+ 205.08458142 145.4
[M]- 205.08567858 145.4
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