CID 15954945

N-{4-[3-(2,4-dimethoxy-5-trifluoromethyl-phenyl)-thioureido]-phenyl}-acetamide

Structural Information

Molecular Formula
C18H18F3N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C(=C2)C(F)(F)F)OC)OC
InChI
InChI=1S/C18H18F3N3O3S/c1-10(25)22-11-4-6-12(7-5-11)23-17(28)24-14-8-13(18(19,20)21)15(26-2)9-16(14)27-3/h4-9H,1-3H3,(H,22,25)(H2,23,24,28)
InChIKey
HFJBAUQMZVLTTR-UHFFFAOYSA-N
Compound name
N-[4-[[2,4-dimethoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

413.1021 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.10938 192.3
[M+Na]+ 436.09132 198.2
[M-H]- 412.09482 194.9
[M+NH4]+ 431.13592 202.3
[M+K]+ 452.06526 193.2
[M+H-H2O]+ 396.09936 180.9
[M+HCOO]- 458.10030 207.0
[M+CH3COO]- 472.11595 229.8
[M+Na-2H]- 434.07677 191.7
[M]+ 413.10155 191.7
[M]- 413.10265 191.7
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