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 155.6
[M+Na]+ 247.11654 159.0
[M-H]- 223.12004 157.5
[M+NH4]+ 242.16114 173.3
[M+K]+ 263.09048 161.7
[M+H-H2O]+ 207.12458 152.6
[M+HCOO]- 269.12552 183.6
[M+CH3COO]- 283.14117 204.5
[M+Na-2H]- 245.10199 156.2
[M]+ 224.12677 155.1
[M]- 224.12787 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.