CID 2829258

1-(2-naphthyl)-2-thiourea

Structural Information

Molecular Formula
C11H10N2S
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=S)N
InChI
InChI=1S/C11H10N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14)
InChIKey
JCGVEGFEGJLZDW-UHFFFAOYSA-N
Compound name
naphthalen-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

202.05647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06375 139.5
[M+Na]+ 225.04569 147.1
[M-H]- 201.04919 143.7
[M+NH4]+ 220.09029 159.5
[M+K]+ 241.01963 142.3
[M+H-H2O]+ 185.05373 133.4
[M+HCOO]- 247.05467 158.6
[M+CH3COO]- 261.07032 152.2
[M+Na-2H]- 223.03114 145.2
[M]+ 202.05592 137.8
[M]- 202.05702 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