CID 799959

Thiourea, n-(2-phenylethyl)-n'-2-pyridinyl-

Structural Information

Molecular Formula
C14H15N3S
SMILES
C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=N2
InChI
InChI=1S/C14H15N3S/c18-14(17-13-8-4-5-10-15-13)16-11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2,(H2,15,16,17,18)
InChIKey
GVKFCKWGWXJWMN-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

164
Patents

257.09866 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 156.3
[M+Na]+ 280.08788 162.0
[M-H]- 256.09138 161.2
[M+NH4]+ 275.13248 171.5
[M+K]+ 296.06182 156.4
[M+H-H2O]+ 240.09592 147.8
[M+HCOO]- 302.09686 175.6
[M+CH3COO]- 316.11251 196.8
[M+Na-2H]- 278.07333 161.6
[M]+ 257.09811 155.2
[M]- 257.09921 155.2
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.