CID 15954880

N-{4-[3-(4-methoxy-3-trifluoromethyl-phenyl)-thioureido]-phenyl}-acetamide

Structural Information

Molecular Formula
C17H16F3N3O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)C(F)(F)F
InChI
InChI=1S/C17H16F3N3O2S/c1-10(24)21-11-3-5-12(6-4-11)22-16(26)23-13-7-8-15(25-2)14(9-13)17(18,19)20/h3-9H,1-2H3,(H,21,24)(H2,22,23,26)
InChIKey
DBNGUCCHASFJTB-UHFFFAOYSA-N
Compound name
N-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

383.09152 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09880 184.5
[M+Na]+ 406.08074 190.3
[M-H]- 382.08424 187.0
[M+NH4]+ 401.12534 195.6
[M+K]+ 422.05468 184.8
[M+H-H2O]+ 366.08878 173.4
[M+HCOO]- 428.08972 199.4
[M+CH3COO]- 442.10537 223.3
[M+Na-2H]- 404.06619 184.8
[M]+ 383.09097 181.8
[M]- 383.09207 181.8
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