CID 135400403

2-hydroxy-1-naphthaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C12H11N3OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=S)N)O
InChI
InChI=1S/C12H11N3OS/c13-12(17)15-14-7-10-9-4-2-1-3-8(9)5-6-11(10)16/h1-7,16H,(H3,13,15,17)/b14-7+
InChIKey
INVDVNVYLCEPSF-VGOFMYFVSA-N
Compound name
[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

245.06229 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06957 150.0
[M+Na]+ 268.05151 157.3
[M-H]- 244.05501 154.1
[M+NH4]+ 263.09611 167.9
[M+K]+ 284.02545 152.2
[M+H-H2O]+ 228.05955 143.2
[M+HCOO]- 290.06049 170.0
[M+CH3COO]- 304.07614 198.2
[M+Na-2H]- 266.03696 155.2
[M]+ 245.06174 148.9
[M]- 245.06284 148.9
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