CID 135849852

Brn 5681721

Structural Information

Molecular Formula
C24H19Br2N5O4S
SMILES
COC1=CC=CC=C1NC(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C(=CC(=C4)Br)Br)O
InChI
InChI=1S/C24H19Br2N5O4S/c1-35-19-10-6-5-9-18(19)27-23(34)28-20(32)13-36-24-30-29-22(31(24)15-7-3-2-4-8-15)16-11-14(25)12-17(26)21(16)33/h2-12,33H,13H2,1H3,(H2,27,28,32,34)
InChIKey
CKNSHFCBKIJSRC-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.95245 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.95973 200.9
[M+Na]+ 653.94167 195.8
[M+NH4]+ 648.98627 200.3
[M+K]+ 669.91561 201.9
[M-H]- 629.94517 203.4
[M+Na-2H]- 651.92712 202.7
[M]+ 630.95190 200.0
[M]- 630.95300 200.0
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.