CID 135470906

Chembl373353

Structural Information

Molecular Formula
C13H18N6O2
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=N/NC2=NON=C2N)O
InChI
InChI=1S/C13H18N6O2/c1-3-19(4-2)10-6-5-9(11(20)7-10)8-15-16-13-12(14)17-21-18-13/h5-8,20H,3-4H2,1-2H3,(H2,14,17)(H,16,18)/b15-8+
InChIKey
YVBXSKSQHZKQOF-OVCLIPMQSA-N
Compound name
2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1491 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15638 167.4
[M+Na]+ 313.13832 173.9
[M-H]- 289.14182 173.9
[M+NH4]+ 308.18292 180.1
[M+K]+ 329.11226 172.5
[M+H-H2O]+ 273.14636 157.3
[M+HCOO]- 335.14730 193.9
[M+CH3COO]- 349.16295 213.7
[M+Na-2H]- 311.12377 172.3
[M]+ 290.14855 169.2
[M]- 290.14965 169.2
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

No patent data available for this compound.