CID 3706468

763130-54-7

Structural Information

Molecular Formula
C24H25BrN2OS
SMILES
CC(C)C1=CC=C(C=C1)N(CC2=C(C=CC(=C2)Br)OC)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C24H25BrN2OS/c1-17(2)18-9-12-22(13-10-18)27(24(29)26-21-7-5-4-6-8-21)16-19-15-20(25)11-14-23(19)28-3/h4-15,17H,16H2,1-3H3,(H,26,29)
InChIKey
MJSOQAJPLMZPDS-UHFFFAOYSA-N
Compound name
1-[(5-bromo-2-methoxyphenyl)methyl]-3-phenyl-1-(4-propan-2-ylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

468.0871 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.09438 187.1
[M+Na]+ 491.07632 191.3
[M+NH4]+ 486.12092 192.0
[M+K]+ 507.05026 188.0
[M-H]- 467.07982 193.1
[M+Na-2H]- 489.06177 194.5
[M]+ 468.08655 188.8
[M]- 468.08765 188.8
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