CID 156609886

Ns00017521

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC1=C(C(=NO1)C)C(=O)NC(=N)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H23N3O2/c1-9-14(10(2)22-20-9)15(21)19-16(18)17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-8H2,1-2H3,(H2,18,19,21)
InChIKey
GVOJYZBPJJDSMY-UHFFFAOYSA-N
Compound name
N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.17902 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 166.7
[M+Na]+ 324.168238 168.3
[M-H]- 300.171744 164.3
[M+NH4]+ 319.212843 187.3
[M+K]+ 340.142178 166.0
[M+H-H2O]+ 284.176280 159.7
[M+HCOO]- 346.177221 173.1
[M+CH3COO]- 360.192871 174.2
[M+Na-2H]- 322.153686 173.8
[M]+ 301.17847142 166.9
[M]- 301.17956858 166.9
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.