CID 198933

Sydnone, 3-(2-(diethylamino)ethyl)-4-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C14H20N3O2
SMILES
CCN(CC)CC[N+]1=C(C(=O)ON1)C2=CC=CC=C2
InChI
InChI=1S/C14H19N3O2/c1-3-16(4-2)10-11-17-13(14(18)19-15-17)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/p+1
InChIKey
GEMHJDDLEHUZQP-UHFFFAOYSA-O
Compound name
3-[2-(diethylamino)ethyl]-4-phenyl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.15555 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16283 158.8
[M+Na]+ 285.14477 172.9
[M+NH4]+ 280.18937 166.5
[M+K]+ 301.11871 169.5
[M-H]- 261.14827 164.2
[M+Na-2H]- 283.13022 166.1
[M]+ 262.15500 162.6
[M]- 262.15610 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.