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]+ 361.11178 183.4
[M+Na]+ 383.09372 187.8
[M-H]- 359.09722 194.9
[M+NH4]+ 378.13832 195.6
[M+K]+ 399.06766 182.2
[M+H-H2O]+ 343.10176 172.8
[M+HCOO]- 405.10270 207.5
[M+CH3COO]- 419.11835 224.3
[M+Na-2H]- 381.07917 188.6
[M]+ 360.10395 183.1
[M]- 360.10505 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.