CID 59401

5-((butylamino)methyl)-3-phenyl-delta(sup 4)-1,2,4-oxadiazoline hydrochloride

Structural Information

Molecular Formula
C13H19N3O
SMILES
CCCCNCC1=NN(CO1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N3O/c1-2-3-9-14-10-13-15-16(11-17-13)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKey
JRQAMJIHIAHGQP-UHFFFAOYSA-N
Compound name
N-[(3-phenyl-2H-1,3,4-oxadiazol-5-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 155.1
[M+Na]+ 256.14204 166.8
[M+NH4]+ 251.18664 162.6
[M+K]+ 272.11598 161.8
[M-H]- 232.14554 159.4
[M+Na-2H]- 254.12749 161.8
[M]+ 233.15227 157.8
[M]- 233.15337 157.8
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.