CID 213916

N-benzoyl-3-morpholinosydnone imine hydrochloride

Structural Information

Molecular Formula
C13H15N4O3
SMILES
C1COCCN1[N+]2=NOC(=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C13H14N4O3/c18-13(11-4-2-1-3-5-11)14-12-10-17(15-20-12)16-6-8-19-9-7-16/h1-5,10H,6-9H2/p+1
InChIKey
IYKDFMOCLFUEOD-UHFFFAOYSA-O
Compound name
N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.1144 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12168 158.9
[M+Na]+ 298.10362 172.7
[M+NH4]+ 293.14822 166.2
[M+K]+ 314.07756 170.7
[M-H]- 274.10712 166.5
[M+Na-2H]- 296.08907 166.7
[M]+ 275.11385 163.1
[M]- 275.11495 163.1
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

patents stripe