CID 3001124

149488-74-4

Structural Information

Molecular Formula
C14H16N4S
SMILES
CC1=CN=C(C=C1)NC(=S)NCCC2=CC=CC=N2
InChI
InChI=1S/C14H16N4S/c1-11-5-6-13(17-10-11)18-14(19)16-9-7-12-4-2-3-8-15-12/h2-6,8,10H,7,9H2,1H3,(H2,16,17,18,19)
InChIKey
NDQKCHYSWLGKCU-UHFFFAOYSA-N
Compound name
1-(5-methylpyridin-2-yl)-3-(2-pyridin-2-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

272.10956 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11684 160.9
[M+Na]+ 295.09878 167.5
[M-H]- 271.10228 164.8
[M+NH4]+ 290.14338 174.4
[M+K]+ 311.07272 161.6
[M+H-H2O]+ 255.10682 151.8
[M+HCOO]- 317.10776 178.8
[M+CH3COO]- 331.12341 200.7
[M+Na-2H]- 293.08423 165.5
[M]+ 272.10901 160.7
[M]- 272.11011 160.7
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.