CID 13261902

103785-29-1

Structural Information

Molecular Formula
C18H25N3O
SMILES
CC(CCNC1=CC(=NO1)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C18H25N3O/c1-15(21-12-6-3-7-13-21)10-11-19-18-14-17(20-22-18)16-8-4-2-5-9-16/h2,4-5,8-9,14-15,19H,3,6-7,10-13H2,1H3
InChIKey
YCYSKYFRQHGWHH-UHFFFAOYSA-N
Compound name
3-phenyl-N-(3-piperidin-1-ylbutyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.207046 172.6
[M+Na]+ 322.188988 175.3
[M-H]- 298.192494 178.8
[M+NH4]+ 317.233593 184.2
[M+K]+ 338.162928 172.2
[M+H-H2O]+ 282.197030 162.0
[M+HCOO]- 344.197971 190.1
[M+CH3COO]- 358.213621 181.7
[M+Na-2H]- 320.174436 174.4
[M]+ 299.19922142 169.0
[M]- 299.20031858 169.0
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.