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
7
Annotation Hits

153
References

2130
Patents

202.05647 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.063746 139.5
[M+Na]+ 225.045688 147.1
[M-H]- 201.049194 143.7
[M+NH4]+ 220.090293 159.5
[M+K]+ 241.019628 142.3
[M+H-H2O]+ 185.053730 133.4
[M+HCOO]- 247.054671 158.6
[M+CH3COO]- 261.070321 152.2
[M+Na-2H]- 223.031136 145.2
[M]+ 202.05592142 137.8
[M]- 202.05701858 137.8
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