CID 3038252

1-n-butyl-3-(2-pyridyl)-2-thiourea

Structural Information

Molecular Formula
C10H15N3S
SMILES
CCCCNC(=S)NC1=CC=CC=N1
InChI
InChI=1S/C10H15N3S/c1-2-3-7-12-10(14)13-9-6-4-5-8-11-9/h4-6,8H,2-3,7H2,1H3,(H2,11,12,13,14)
InChIKey
LXYIUAPDEIGKQI-UHFFFAOYSA-N
Compound name
1-butyl-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

209.09866 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.105936 145.8
[M+Na]+ 232.087878 151.5
[M-H]- 208.091384 147.7
[M+NH4]+ 227.132483 163.2
[M+K]+ 248.061818 147.7
[M+H-H2O]+ 192.095920 138.3
[M+HCOO]- 254.096861 164.5
[M+CH3COO]- 268.112511 189.1
[M+Na-2H]- 230.073326 149.9
[M]+ 209.09811142 145.6
[M]- 209.09920858 145.6
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

patents stripe