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]+ 329.16823 179.6
[M+Na]+ 351.15017 184.4
[M-H]- 327.15367 185.5
[M+NH4]+ 346.19477 193.3
[M+K]+ 367.12411 179.5
[M+H-H2O]+ 311.15821 171.4
[M+HCOO]- 373.15915 195.6
[M+CH3COO]- 387.17480 216.6
[M+Na-2H]- 349.13562 176.7
[M]+ 328.16040 180.2
[M]- 328.16150 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