CID 701009

1-phenyl-3-(2-pyridyl)-2-thiourea

Structural Information

Molecular Formula
C12H11N3S
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2
InChI
InChI=1S/C12H11N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)
InChIKey
JFHXWMRFXORESD-UHFFFAOYSA-N
Compound name
1-phenyl-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

49
Patents

229.06737 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07465 148.3
[M+Na]+ 252.05659 161.1
[M+NH4]+ 247.10119 157.4
[M+K]+ 268.03053 151.6
[M-H]- 228.06009 153.8
[M+Na-2H]- 250.04204 158.4
[M]+ 229.06682 152.1
[M]- 229.06792 152.1
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