CID 5273632

Schembl6954647

Structural Information

Molecular Formula
C15H17N3OS
SMILES
COC1=CC=CC=C1CCNC(=S)NC2=CC=CC=N2
InChI
InChI=1S/C15H17N3OS/c1-19-13-7-3-2-6-12(13)9-11-17-15(20)18-14-8-4-5-10-16-14/h2-8,10H,9,11H2,1H3,(H2,16,17,18,20)
InChIKey
FODTZFRFQCNSRO-UHFFFAOYSA-N
Compound name
1-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

287.10922 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11650 164.6
[M+Na]+ 310.09844 170.5
[M-H]- 286.10194 169.7
[M+NH4]+ 305.14304 178.7
[M+K]+ 326.07238 165.2
[M+H-H2O]+ 270.10648 155.8
[M+HCOO]- 332.10742 183.7
[M+CH3COO]- 346.12307 203.0
[M+Na-2H]- 308.08389 168.7
[M]+ 287.10867 165.6
[M]- 287.10977 165.6
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

No patent data available for this compound.