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

12
Patents

209.09866 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10594 145.8
[M+Na]+ 232.08788 151.5
[M-H]- 208.09138 147.7
[M+NH4]+ 227.13248 163.2
[M+K]+ 248.06182 147.7
[M+H-H2O]+ 192.09592 138.3
[M+HCOO]- 254.09686 164.5
[M+CH3COO]- 268.11251 189.1
[M+Na-2H]- 230.07333 149.9
[M]+ 209.09811 145.6
[M]- 209.09921 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