CID 5219

Linsidomine

Structural Information

Molecular Formula
C6H10N4O2
SMILES
C1COCCN1[N+]2=CC(=N)O[N-]2
InChI
InChI=1S/C6H10N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5,7H,1-4H2
InChIKey
FKDHHVKWGRFRTG-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1470
References

3410
Patents

170.08037 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 133.6
[M+Na]+ 193.069588 139.9
[M-H]- 169.073094 135.9
[M+NH4]+ 188.114193 147.2
[M+K]+ 209.043528 134.8
[M+H-H2O]+ 153.077630 129.8
[M+HCOO]- 215.078571 151.7
[M+CH3COO]- 229.094221 166.8
[M+Na-2H]- 191.055036 142.9
[M]+ 170.07982142 126.7
[M]- 170.08091858 126.7
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