CID 135442199

Salicylaldehyde thiobenzoylhydrazone

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1=CC=C(C=C1)C(=S)N/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C14H12N2OS/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11/h1-10,17H,(H,16,18)/b15-10+
InChIKey
VXZUUYKZNSQUOU-XNTDXEJSSA-N
Compound name
N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

256.06705 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 155.9
[M+Na]+ 279.05627 162.5
[M-H]- 255.05977 162.6
[M+NH4]+ 274.10087 172.5
[M+K]+ 295.03021 157.1
[M+H-H2O]+ 239.06431 148.2
[M+HCOO]- 301.06525 176.7
[M+CH3COO]- 315.08090 196.6
[M+Na-2H]- 277.04172 160.2
[M]+ 256.06650 155.4
[M]- 256.06760 155.4
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