CID 2821617

18378-24-0

Structural Information

Molecular Formula
C10H10N4O4
SMILES
C1COCCN1C2=CC=C(C3=NON=C23)[N+](=O)[O-]
InChI
InChI=1S/C10H10N4O4/c15-14(16)8-2-1-7(9-10(8)12-18-11-9)13-3-5-17-6-4-13/h1-2H,3-6H2
InChIKey
PPMKRWMGEQTTQI-UHFFFAOYSA-N
Compound name
7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

250.0702 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.077476 149.5
[M+Na]+ 273.059418 156.9
[M-H]- 249.062924 154.7
[M+NH4]+ 268.104023 161.3
[M+K]+ 289.033358 152.4
[M+H-H2O]+ 233.067460 144.8
[M+HCOO]- 295.068401 168.3
[M+CH3COO]- 309.084051 185.2
[M+Na-2H]- 271.044866 159.6
[M]+ 250.06965142 148.6
[M]- 250.07074858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe