CID 736366

1-(1-naphthyl)-2-thiourea

Structural Information

Molecular Formula
C11H10N2S
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=S)N
InChI
InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)
InChIKey
PIVQQUNOTICCSA-UHFFFAOYSA-N
Compound name
naphthalen-1-ylthiourea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

153
References

2297
Patents

202.05647 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06375 140.4
[M+Na]+ 225.04569 152.6
[M+NH4]+ 220.09029 150.4
[M+K]+ 241.01963 143.5
[M-H]- 201.04919 145.0
[M+Na-2H]- 223.03114 147.9
[M]+ 202.05592 143.9
[M]- 202.05702 143.9
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