CID 47003050

Methyl[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]amine hydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CNCCCCCC1=CC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C15H20N2O/c1-16-11-7-3-6-10-14-12-15(17-18-14)13-8-4-2-5-9-13/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3
InChIKey
ATOIROAQNNKLGH-UHFFFAOYSA-N
Compound name
N-methyl-5-(3-phenyl-1,2-oxazol-5-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 157.6
[M+Na]+ 267.146778 163.9
[M-H]- 243.150284 163.2
[M+NH4]+ 262.191383 173.8
[M+K]+ 283.120718 161.1
[M+H-H2O]+ 227.154820 149.3
[M+HCOO]- 289.155761 181.5
[M+CH3COO]- 303.171411 195.5
[M+Na-2H]- 265.132226 163.1
[M]+ 244.15701142 160.0
[M]- 244.15810858 160.0
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.