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 156.5
[M+Na]+ 268.10564 164.6
[M-H]- 244.10914 163.5
[M+NH4]+ 263.15024 172.8
[M+K]+ 284.07958 162.7
[M+H-H2O]+ 228.11368 148.6
[M+HCOO]- 290.11462 181.4
[M+CH3COO]- 304.13027 197.8
[M+Na-2H]- 266.09109 160.8
[M]+ 245.11587 158.2
[M]- 245.11697 158.2
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