CID 135964589

[(e)-(1-phenyl-2-thioxo-indolin-3-ylidene)amino]thiourea

Structural Information

Molecular Formula
C15H12N4S2
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2S)N=NC(=S)N
InChI
InChI=1S/C15H12N4S2/c16-15(21)18-17-13-11-8-4-5-9-12(11)19(14(13)20)10-6-2-1-3-7-10/h1-9,20H,(H2,16,21)
InChIKey
HXTKJZPOKFCFND-UHFFFAOYSA-N
Compound name
(1-phenyl-2-sulfanylindol-3-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.05035 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.05763 167.6
[M+Na]+ 335.03957 178.7
[M-H]- 311.04307 176.9
[M+NH4]+ 330.08417 185.4
[M+K]+ 351.01351 171.9
[M+H-H2O]+ 295.04761 160.1
[M+HCOO]- 357.04855 186.3
[M+CH3COO]- 371.06420 180.2
[M+Na-2H]- 333.02502 171.0
[M]+ 312.04980 171.8
[M]- 312.05090 171.8
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

No patent data available for this compound.