CID 1249111

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

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C19H17N3O2S/c23-17-11-15-9-5-4-8-14(15)10-16(17)18(24)21-22-19(25)20-12-13-6-2-1-3-7-13/h1-11,23H,12H2,(H,21,24)(H2,20,22,25)
InChIKey
SFRUUOXPAHEPHP-UHFFFAOYSA-N
Compound name
1-benzyl-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.10416 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11144 177.6
[M+Na]+ 374.09338 182.4
[M-H]- 350.09688 183.2
[M+NH4]+ 369.13798 190.2
[M+K]+ 390.06732 176.1
[M+H-H2O]+ 334.10142 169.4
[M+HCOO]- 396.10236 195.2
[M+CH3COO]- 410.11801 215.2
[M+Na-2H]- 372.07883 182.2
[M]+ 351.10361 176.4
[M]- 351.10471 176.4
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.