CID 3001117

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

Structural Information

Molecular Formula
C13H14N4S
SMILES
C1=CC=C(C=C1)CCNC(=S)NC2=NC=CN=C2
InChI
InChI=1S/C13H14N4S/c18-13(17-12-10-14-8-9-15-12)16-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,15,16,17,18)
InChIKey
CDHPKLQOWLHDSH-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-pyrazin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

258.0939 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10118 155.8
[M+Na]+ 281.08312 161.9
[M-H]- 257.08662 159.5
[M+NH4]+ 276.12772 169.6
[M+K]+ 297.05706 156.3
[M+H-H2O]+ 241.09116 146.7
[M+HCOO]- 303.09210 174.1
[M+CH3COO]- 317.10775 166.4
[M+Na-2H]- 279.06857 161.7
[M]+ 258.09335 154.8
[M]- 258.09445 154.8
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

patents stripe