CID 9576150

Nsc 91047

Structural Information

Molecular Formula
C7H14N6S2
SMILES
CC/C(=N\NC(=S)N)/C(=N/NC(=S)N)/C
InChI
InChI=1S/C7H14N6S2/c1-3-5(11-13-7(9)15)4(2)10-12-6(8)14/h3H2,1-2H3,(H3,8,12,14)(H3,9,13,15)/b10-4+,11-5+
InChIKey
ROQOFQSOVQRQPW-ZVSIBQGLSA-N
Compound name
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)pentan-3-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07214 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07942 154.5
[M+Na]+ 269.06136 155.7
[M+NH4]+ 264.10596 159.5
[M+K]+ 285.03530 150.4
[M-H]- 245.06486 155.1
[M+Na-2H]- 267.04681 154.8
[M]+ 246.07159 154.8
[M]- 246.07269 154.8
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.