CID 5356965

O-anisaldehyde, 3-thiosemicarbazone

Structural Information

Molecular Formula
C9H11N3OS
SMILES
COC1=CC=CC=C1/C=N\NC(=S)N
InChI
InChI=1S/C9H11N3OS/c1-13-8-5-3-2-4-7(8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)/b11-6-
InChIKey
LHIPHJZPFNPALV-WDZFZDKYSA-N
Compound name
[(Z)-(2-methoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

209.06229 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.069566 143.7
[M+Na]+ 232.051508 150.3
[M-H]- 208.055014 148.3
[M+NH4]+ 227.096113 162.6
[M+K]+ 248.025448 147.2
[M+H-H2O]+ 192.059550 136.5
[M+HCOO]- 254.060491 166.1
[M+CH3COO]- 268.076141 192.8
[M+Na-2H]- 230.036956 147.4
[M]+ 209.06174142 143.8
[M]- 209.06283858 143.8
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

patents stripe