CID 2760175

4-(1-naphthyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C11H11N3S
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=S)NN
InChI
InChI=1S/C11H11N3S/c12-14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H2,13,14,15)
InChIKey
TZGQJLSTYZDCHA-UHFFFAOYSA-N
Compound name
1-amino-3-naphthalen-1-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

217.06737 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.074646 142.2
[M+Na]+ 240.056588 149.1
[M-H]- 216.060094 146.2
[M+NH4]+ 235.101193 161.2
[M+K]+ 256.030528 144.2
[M+H-H2O]+ 200.064630 135.7
[M+HCOO]- 262.065571 162.3
[M+CH3COO]- 276.081221 154.3
[M+Na-2H]- 238.042036 148.6
[M]+ 217.06682142 139.8
[M]- 217.06791858 139.8
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