CID 3001233

1-ethyl-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea

Structural Information

Molecular Formula
C14H15N3O2S
SMILES
CCNC(=S)NNC(=O)C1=CC2=CC=CC=C2C=C1O
InChI
InChI=1S/C14H15N3O2S/c1-2-15-14(20)17-16-13(19)11-7-9-5-3-4-6-10(9)8-12(11)18/h3-8,18H,2H2,1H3,(H,16,19)(H2,15,17,20)
InChIKey
UGVHWZGBMURBMV-UHFFFAOYSA-N
Compound name
1-ethyl-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.0885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09578 162.5
[M+Na]+ 312.07772 168.0
[M-H]- 288.08122 165.3
[M+NH4]+ 307.12232 178.1
[M+K]+ 328.05166 163.2
[M+H-H2O]+ 272.08576 155.5
[M+HCOO]- 334.08670 180.1
[M+CH3COO]- 348.10235 204.2
[M+Na-2H]- 310.06317 166.4
[M]+ 289.08795 161.9
[M]- 289.08905 161.9
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

No patent data available for this compound.