CID 22931486

2,2'-(1,4-phenylene)di(hydrazine-1-carbothioamide)

Structural Information

Molecular Formula
C8H12N6S2
SMILES
C1=CC(=CC=C1NNC(=S)N)NNC(=S)N
InChI
InChI=1S/C8H12N6S2/c9-7(15)13-11-5-1-2-6(4-3-5)12-14-8(10)16/h1-4,11-12H,(H3,9,13,15)(H3,10,14,16)
InChIKey
KVPRQAHEOYMTAP-UHFFFAOYSA-N
Compound name
[4-(2-carbamothioylhydrazinyl)anilino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

256.0565 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06378 147.2
[M+Na]+ 279.04572 150.6
[M-H]- 255.04922 148.4
[M+NH4]+ 274.09032 161.4
[M+K]+ 295.01966 144.4
[M+H-H2O]+ 239.05376 138.6
[M+HCOO]- 301.05470 162.6
[M+CH3COO]- 315.07035 206.3
[M+Na-2H]- 277.03117 149.6
[M]+ 256.05595 140.4
[M]- 256.05705 140.4
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

patents stripe