CID 15954816

N-[4-[(3,5-dibromo-2,4-dimethyl-phenyl)carbamothioylamino]phenyl]acetamide

Structural Information

Molecular Formula
C17H17Br2N3OS
SMILES
CC1=C(C(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C)Br)C)Br
InChI
InChI=1S/C17H17Br2N3OS/c1-9-14(18)8-15(10(2)16(9)19)22-17(24)21-13-6-4-12(5-7-13)20-11(3)23/h4-8H,1-3H3,(H,20,23)(H2,21,22,24)
InChIKey
AXOVUJBUDMAFMH-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dibromo-2,4-dimethylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.94592 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.95320 169.2
[M+Na]+ 491.93514 177.6
[M-H]- 467.93864 177.7
[M+NH4]+ 486.97974 182.5
[M+K]+ 507.90908 159.0
[M+H-H2O]+ 451.94318 173.3
[M+HCOO]- 513.94412 181.1
[M+CH3COO]- 527.95977 233.3
[M+Na-2H]- 489.92059 171.1
[M]+ 468.94537 202.8
[M]- 468.94647 202.8
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

No patent data available for this compound.