CID 657262

(phenylazo)thioformic acid 2-phenylhydrazide

Structural Information

Molecular Formula
C13H12N4S
SMILES
C1=CC=C(C=C1)NNC(=S)N=NC2=CC=CC=C2
InChI
InChI=1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)
InChIKey
UOFGSWVZMUXXIY-UHFFFAOYSA-N
Compound name
1-anilino-3-phenyliminothiourea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

538
References

7990
Patents

256.07828 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.085556 154.1
[M+Na]+ 279.067498 159.5
[M-H]- 255.071004 163.1
[M+NH4]+ 274.112103 171.1
[M+K]+ 295.041438 155.4
[M+H-H2O]+ 239.075540 145.1
[M+HCOO]- 301.076481 179.8
[M+CH3COO]- 315.092131 204.8
[M+Na-2H]- 277.052946 161.6
[M]+ 256.07773142 153.6
[M]- 256.07882858 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe