CID 1285030

476484-37-4

Structural Information

Molecular Formula
C24H19ClN6O2S
SMILES
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC5=C(C=C4)C=NN5
InChI
InChI=1S/C24H19ClN6O2S/c1-33-20-10-3-15(4-11-20)23-29-30-24(31(23)19-8-5-17(25)6-9-19)34-14-22(32)27-18-7-2-16-13-26-28-21(16)12-18/h2-13H,14H2,1H3,(H,26,28)(H,27,32)
InChIKey
BIANCHCUNULGSX-UHFFFAOYSA-N
Compound name
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1H-indazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.09787 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10515 212.0
[M+Na]+ 513.08709 228.6
[M+NH4]+ 508.13169 218.0
[M+K]+ 529.06103 221.7
[M-H]- 489.09059 218.0
[M+Na-2H]- 511.07254 221.6
[M]+ 490.09732 216.8
[M]- 490.09842 216.8
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.