CID 135849855

Brn 5675997

Structural Information

Molecular Formula
C24H19Br2N5O3S
SMILES
CC1=CC(=CC=C1)NC(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C(=CC(=C4)Br)Br)O
InChI
InChI=1S/C24H19Br2N5O3S/c1-14-6-5-7-16(10-14)27-23(34)28-20(32)13-35-24-30-29-22(31(24)17-8-3-2-4-9-17)18-11-15(25)12-19(26)21(18)33/h2-12,33H,13H2,1H3,(H2,27,28,32,34)
InChIKey
YBMFJEVTGBHSQF-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methylphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.9575 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.96478 198.3
[M+Na]+ 637.94672 193.4
[M+NH4]+ 632.99132 198.0
[M+K]+ 653.92066 199.3
[M-H]- 613.95022 201.0
[M+Na-2H]- 635.93217 200.3
[M]+ 614.95695 197.5
[M]- 614.95805 197.5
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.