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 161.7
[M+Na]+ 298.10362 166.5
[M-H]- 274.10712 168.4
[M+NH4]+ 293.14822 171.0
[M+K]+ 314.07756 160.2
[M+H-H2O]+ 258.11166 153.8
[M+HCOO]- 320.11260 178.7
[M+CH3COO]- 334.12825 189.3
[M+Na-2H]- 296.08907 169.1
[M]+ 275.11385 158.1
[M]- 275.11495 158.1
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