CID 5486308

64047-27-4

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC(=NCCN=C(C)/C(=N\[O-])/C)/C(=N/[O-])/C
InChI
InChI=1S/C10H18N4O2/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16/h15-16H,5-6H2,1-4H3/p-2/b11-7?,12-8?,13-9-,14-10+
InChIKey
WBSLATNQBOWDSO-BQBLSDAKSA-L
Compound name
3-N-oxido-2-N-[2-[[(3E)-3-oxidoiminobutan-2-ylidene]amino]ethyl]butane-2,3-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 154.5
[M+Na]+ 247.11654 159.1
[M+NH4]+ 242.16114 158.4
[M+K]+ 263.09048 157.7
[M-H]- 223.12004 153.8
[M+Na-2H]- 245.10199 154.5
[M]+ 224.12677 153.5
[M]- 224.12787 153.5
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

No patent data available for this compound.