CID 3032409

1614-30-8

Structural Information

Molecular Formula
C14H14N4S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)NC(=S)N)NC(=S)N
InChI
InChI=1S/C14H14N4S2/c15-13(19)17-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-14(16)20/h1-8H,(H3,15,17,19)(H3,16,18,20)
InChIKey
FAOJSYHCXVRQKK-UHFFFAOYSA-N
Compound name
[4-[4-(carbamothioylamino)phenyl]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07326 162.7
[M+Na]+ 325.05520 171.4
[M+NH4]+ 320.09980 170.5
[M+K]+ 341.02914 162.3
[M-H]- 301.05870 168.5
[M+Na-2H]- 323.04065 169.9
[M]+ 302.06543 166.2
[M]- 302.06653 166.2
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.