CID 2738954

Hms1668k12

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=C(C(=NO1)C)NC(=O)NC2CCCC3=CC=CC=C23
InChI
InChI=1S/C16H19N3O2/c1-10-15(11(2)21-19-10)18-16(20)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9H2,1-2H3,(H2,17,18,20)
InChIKey
FOXDGUCLVOOYFN-UHFFFAOYSA-N
Compound name
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

285.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.155016 166.4
[M+Na]+ 308.136958 172.6
[M-H]- 284.140464 173.3
[M+NH4]+ 303.181563 181.8
[M+K]+ 324.110898 169.8
[M+H-H2O]+ 268.145000 158.2
[M+HCOO]- 330.145941 187.3
[M+CH3COO]- 344.161591 205.3
[M+Na-2H]- 306.122406 170.3
[M]+ 285.14719142 165.3
[M]- 285.14828858 165.3
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

No patent data available for this compound.