CID 5277309

832098-84-7

Structural Information

Molecular Formula
C16H16N2OS
SMILES
C1C(CC2=CC=CC=C21)OC3=CC=CC(=C3)NC(=S)N
InChI
InChI=1S/C16H16N2OS/c17-16(20)18-13-6-3-7-14(10-13)19-15-8-11-4-1-2-5-12(11)9-15/h1-7,10,15H,8-9H2,(H3,17,18,20)
InChIKey
RZYMNNVOERIPPK-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

284.09833 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 162.9
[M+Na]+ 307.08755 169.7
[M-H]- 283.09105 170.0
[M+NH4]+ 302.13215 181.3
[M+K]+ 323.06149 164.3
[M+H-H2O]+ 267.09559 156.1
[M+HCOO]- 329.09653 181.7
[M+CH3COO]- 343.11218 174.4
[M+Na-2H]- 305.07300 164.8
[M]+ 284.09778 162.1
[M]- 284.09888 162.1
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.