CID 15753006

135252-10-7

Structural Information

Molecular Formula
C19H24N2OS
SMILES
CC(C)C1=CC(=CC(=C1NC(=S)N)C(C)C)OC2=CC=CC=C2
InChI
InChI=1S/C19H24N2OS/c1-12(2)16-10-15(22-14-8-6-5-7-9-14)11-17(13(3)4)18(16)21-19(20)23/h5-13H,1-4H3,(H3,20,21,23)
InChIKey
RBDFBEPKVUICAS-UHFFFAOYSA-N
Compound name
[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

328.16095 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.168226 179.6
[M+Na]+ 351.150168 184.4
[M-H]- 327.153674 185.5
[M+NH4]+ 346.194773 193.3
[M+K]+ 367.124108 179.5
[M+H-H2O]+ 311.158210 171.4
[M+HCOO]- 373.159151 195.6
[M+CH3COO]- 387.174801 216.6
[M+Na-2H]- 349.135616 176.7
[M]+ 328.16040142 180.2
[M]- 328.16149858 180.2
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