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 161.8
[M+Na]+ 285.14477 169.0
[M-H]- 261.14827 167.0
[M+NH4]+ 280.18937 175.7
[M+K]+ 301.11871 161.3
[M+H-H2O]+ 245.15281 155.6
[M+HCOO]- 307.15375 183.7
[M+CH3COO]- 321.16940 191.7
[M+Na-2H]- 283.13022 168.3
[M]+ 262.15500 163.5
[M]- 262.15610 163.5
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.