CID 3076190

Brn 5818992

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=NOC(=C2)C
InChI
InChI=1S/C13H15N3O2/c1-8-5-4-6-9(2)12(8)15-13(17)14-11-7-10(3)18-16-11/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKey
HUODFDFUGXYPJO-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 156.8
[M+Na]+ 268.10564 168.4
[M+NH4]+ 263.15024 163.8
[M+K]+ 284.07958 164.9
[M-H]- 244.10914 161.6
[M+Na-2H]- 266.09109 163.1
[M]+ 245.11587 159.6
[M]- 245.11697 159.6
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