CID 5122320

1,3-bis(4-cyanophenyl)thiourea

Structural Information

Molecular Formula
C15H10N4S
SMILES
C1=CC(=CC=C1C#N)NC(=S)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H10N4S/c16-9-11-1-5-13(6-2-11)18-15(20)19-14-7-3-12(10-17)4-8-14/h1-8H,(H2,18,19,20)
InChIKey
BSTUZINYPWWSIQ-UHFFFAOYSA-N
Compound name
1,3-bis(4-cyanophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

278.06262 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06990 183.1
[M+Na]+ 301.05184 191.6
[M+NH4]+ 296.09644 183.9
[M+K]+ 317.02578 179.1
[M-H]- 277.05534 175.5
[M+Na-2H]- 299.03729 183.7
[M]+ 278.06207 181.2
[M]- 278.06317 181.2
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

patents stripe