CID 71973

Schembl308866

Structural Information

Molecular Formula
C13H21N4O3
SMILES
C1CCC(CC1)C(=O)NC2=C[N+](=NO2)N3CCOCC3
InChI
InChI=1S/C13H20N4O3/c18-13(11-4-2-1-3-5-11)14-12-10-17(15-20-12)16-6-8-19-9-7-16/h10-11H,1-9H2/p+1
InChIKey
AJPLPOWGYORUIF-UHFFFAOYSA-O
Compound name
N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

725
Patents

281.16138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.168656 165.5
[M+Na]+ 304.150598 167.2
[M-H]- 280.154104 171.0
[M+NH4]+ 299.195203 174.3
[M+K]+ 320.124538 161.6
[M+H-H2O]+ 264.158640 157.5
[M+HCOO]- 326.159581 178.2
[M+CH3COO]- 340.175231 190.5
[M+Na-2H]- 302.136046 170.0
[M]+ 281.16083142 157.7
[M]- 281.16192858 157.7
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

patents stripe