CID 56843439

3-ethoxy-2-oxobutyraldehyde bisthiosemicarbazone copper

Structural Information

Molecular Formula
C8H18N6OS2
SMILES
CCOCCC(/C=N/NC(=S)N)NNC(=S)N
InChI
InChI=1S/C8H18N6OS2/c1-2-15-4-3-6(12-14-8(10)17)5-11-13-7(9)16/h5-6,12H,2-4H2,1H3,(H3,9,13,16)(H3,10,14,17)/b11-5+
InChIKey
UXNHCTINPSXYJQ-VZUCSPMQSA-N
Compound name
[(E)-[2-(2-carbamothioylhydrazinyl)-4-ethoxybutylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.09836 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10564 157.0
[M+Na]+ 301.08758 157.9
[M-H]- 277.09108 155.6
[M+NH4]+ 296.13218 170.6
[M+K]+ 317.06152 153.8
[M+H-H2O]+ 261.09562 147.6
[M+HCOO]- 323.09656 171.1
[M+CH3COO]- 337.11221 213.2
[M+Na-2H]- 299.07303 156.3
[M]+ 278.09781 153.2
[M]- 278.09891 153.2
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.