CID 3095686

96938-58-8

Structural Information

Molecular Formula
C20H16N4OS
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C20H16N4OS/c25-19(15-7-3-1-4-8-15)22-20(26)21-16-11-13-18(14-12-16)24-23-17-9-5-2-6-10-17/h1-14H,(H2,21,22,25,26)
InChIKey
MHSUAFYCAOSBHD-UHFFFAOYSA-N
Compound name
N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1045 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.111776 183.4
[M+Na]+ 383.093718 187.8
[M-H]- 359.097224 194.9
[M+NH4]+ 378.138323 195.6
[M+K]+ 399.067658 182.2
[M+H-H2O]+ 343.101760 172.8
[M+HCOO]- 405.102701 207.5
[M+CH3COO]- 419.118351 224.3
[M+Na-2H]- 381.079166 188.6
[M]+ 360.10395142 183.1
[M]- 360.10504858 183.1
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.