CID 3008847

1-(5-bromo-2-pyridyl)-3-[(2r)-2-cyclohexylpropyl]thiourea

Structural Information

Molecular Formula
C15H22BrN3S
SMILES
C[C@@H](CNC(=S)NC1=NC=C(C=C1)Br)C2CCCCC2
InChI
InChI=1S/C15H22BrN3S/c1-11(12-5-3-2-4-6-12)9-18-15(20)19-14-8-7-13(16)10-17-14/h7-8,10-12H,2-6,9H2,1H3,(H2,17,18,19,20)/t11-/m0/s1
InChIKey
FZRVFFSZGBFDBT-NSHDSACASA-N
Compound name
1-(5-bromo-2-pyridinyl)-3-[(2R)-2-cyclohexylpropyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.07178 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07906 167.2
[M+Na]+ 378.06100 173.0
[M-H]- 354.06450 173.4
[M+NH4]+ 373.10560 182.2
[M+K]+ 394.03494 159.6
[M+H-H2O]+ 338.06904 164.8
[M+HCOO]- 400.06998 178.8
[M+CH3COO]- 414.08563 211.3
[M+Na-2H]- 376.04645 169.1
[M]+ 355.07123 181.0
[M]- 355.07233 181.0
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

No patent data available for this compound.