CID 3070615

86683-56-9

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CC(CN1CCCCC1)C(=O)NC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3O2/c1-14(13-21-10-6-3-7-11-21)18(22)19-17-12-16(20-23-17)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,19,22)
InChIKey
NXGYNBZXCSLVDW-UHFFFAOYSA-N
Compound name
2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 175.4
[M+Na]+ 336.16824 178.0
[M-H]- 312.17174 181.8
[M+NH4]+ 331.21284 186.2
[M+K]+ 352.14218 175.5
[M+H-H2O]+ 296.17628 165.0
[M+HCOO]- 358.17722 192.3
[M+CH3COO]- 372.19287 206.6
[M+Na-2H]- 334.15369 176.1
[M]+ 313.17847 171.8
[M]- 313.17957 171.8
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

No patent data available for this compound.