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]+ 225.134596 155.6
[M+Na]+ 247.116538 159.0
[M-H]- 223.120044 157.5
[M+NH4]+ 242.161143 173.3
[M+K]+ 263.090478 161.7
[M+H-H2O]+ 207.124580 152.6
[M+HCOO]- 269.125521 183.6
[M+CH3COO]- 283.141171 204.5
[M+Na-2H]- 245.101986 156.2
[M]+ 224.12677142 155.1
[M]- 224.12786858 155.1
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.