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 163.7
[M+Na]+ 325.05520 169.0
[M-H]- 301.05870 168.4
[M+NH4]+ 320.09980 177.2
[M+K]+ 341.02914 160.9
[M+H-H2O]+ 285.06324 155.6
[M+HCOO]- 347.06418 177.5
[M+CH3COO]- 361.07983 210.2
[M+Na-2H]- 323.04065 164.4
[M]+ 302.06543 158.9
[M]- 302.06653 158.9
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.