CID 9574303

Thiosemicarbazone der.

Structural Information

Molecular Formula
C16H17N5S
SMILES
C/C(=N\NC(=S)/N=C(\N)/NC1=CC=CC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C16H17N5S/c1-12(13-8-4-2-5-9-13)20-21-16(22)19-15(17)18-14-10-6-3-7-11-14/h2-11H,1H3,(H4,17,18,19,21,22)/b20-12+
InChIKey
SCIFFBSQVNJGDU-UDWIEESQSA-N
Compound name
(1E)-1-[amino(anilino)methylidene]-3-[(E)-1-phenylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.12045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12773 171.8
[M+Na]+ 334.10967 174.7
[M-H]- 310.11317 179.7
[M+NH4]+ 329.15427 185.7
[M+K]+ 350.08361 170.3
[M+H-H2O]+ 294.11771 162.1
[M+HCOO]- 356.11865 194.9
[M+CH3COO]- 370.13430 218.0
[M+Na-2H]- 332.09512 175.2
[M]+ 311.11990 168.6
[M]- 311.12100 168.6
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.