CID 61351741

1-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine dihydrochloride

Structural Information

Molecular Formula
C14H18N4O
SMILES
C1CCCC(CC1)(C2=NOC(=N2)C3=CN=CC=C3)N
InChI
InChI=1S/C14H18N4O/c15-14(7-3-1-2-4-8-14)13-17-12(19-18-13)11-6-5-9-16-10-11/h5-6,9-10H,1-4,7-8,15H2
InChIKey
OYYAOGBRHXGEQD-UHFFFAOYSA-N
Compound name
1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.14807 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15535 159.0
[M+Na]+ 281.13729 163.9
[M-H]- 257.14079 165.5
[M+NH4]+ 276.18189 171.8
[M+K]+ 297.11123 164.4
[M+H-H2O]+ 241.14533 147.5
[M+HCOO]- 303.14627 176.4
[M+CH3COO]- 317.16192 169.0
[M+Na-2H]- 279.12274 163.3
[M]+ 258.14752 151.7
[M]- 258.14862 151.7
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.