CID 721808

Brn 2950455

Structural Information

Molecular Formula
C19H17N3OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H17N3OS/c23-18(21-22-19(24)20-16-10-2-1-3-11-16)13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2,(H,21,23)(H2,20,22,24)
InChIKey
XRSNDUPLOIMYGH-UHFFFAOYSA-N
Compound name
1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.10922 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11650 174.5
[M+Na]+ 358.09844 179.1
[M-H]- 334.10194 181.2
[M+NH4]+ 353.14304 188.3
[M+K]+ 374.07238 172.9
[M+H-H2O]+ 318.10648 166.0
[M+HCOO]- 380.10742 193.4
[M+CH3COO]- 394.12307 184.1
[M+Na-2H]- 356.08389 179.9
[M]+ 335.10867 173.3
[M]- 335.10977 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.