CID 9552058

Pyruvaldehyde bis(n4,n4-dimethylthiosemicarbazone)

Structural Information

Molecular Formula
C7H14N6S2
SMILES
C/C(=N\NC(=S)NC)/C=N/NC(=S)NC
InChI
InChI=1S/C7H14N6S2/c1-5(11-13-7(15)9-3)4-10-12-6(14)8-2/h4H,1-3H3,(H2,8,12,14)(H2,9,13,15)/b10-4+,11-5+
InChIKey
VEXRMMJOMMTPKJ-ZVSIBQGLSA-N
Compound name
1-methyl-3-[(E)-[(1E)-1-(methylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

70
References

341
Patents

246.07214 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07942 153.1
[M+Na]+ 269.06136 155.6
[M-H]- 245.06486 154.7
[M+NH4]+ 264.10596 169.5
[M+K]+ 285.03530 152.1
[M+H-H2O]+ 229.06940 143.9
[M+HCOO]- 291.07034 170.0
[M+CH3COO]- 305.08599 208.6
[M+Na-2H]- 267.04681 154.3
[M]+ 246.07159 150.5
[M]- 246.07269 150.5
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

patents stripe