CID 71973

Ciclosidomine

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
1
Annotation Hits

2
References

11
Patents

281.16138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16866 165.5
[M+Na]+ 304.15060 167.2
[M-H]- 280.15410 171.0
[M+NH4]+ 299.19520 174.3
[M+K]+ 320.12454 161.6
[M+H-H2O]+ 264.15864 157.5
[M+HCOO]- 326.15958 178.2
[M+CH3COO]- 340.17523 190.5
[M+Na-2H]- 302.13605 170.0
[M]+ 281.16083 157.7
[M]- 281.16193 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