CID 3003538

Thiourea, n-(5-chloro-2-pyridinyl)-n'-[(1r)-1-(1-naphthalenyl)ethyl]-

Structural Information

Molecular Formula
C18H16ClN3S
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NC(=S)NC3=NC=C(C=C3)Cl
InChI
InChI=1S/C18H16ClN3S/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)21-18(23)22-17-10-9-14(19)11-20-17/h2-12H,1H3,(H2,20,21,22,23)/t12-/m1/s1
InChIKey
TVZKMIIGDPZLED-GFCCVEGCSA-N
Compound name
1-(5-chloropyridin-2-yl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

341.07535 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08263 175.1
[M+Na]+ 364.06457 182.4
[M-H]- 340.06807 181.0
[M+NH4]+ 359.10917 189.0
[M+K]+ 380.03851 174.7
[M+H-H2O]+ 324.07261 167.4
[M+HCOO]- 386.07355 187.2
[M+CH3COO]- 400.08920 185.1
[M+Na-2H]- 362.05002 179.1
[M]+ 341.07480 176.9
[M]- 341.07590 176.9
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.