CID 160194

31188-91-7

Structural Information

Molecular Formula
C34H37Cl3N4O4
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3)C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)CC
InChI
InChI=1S/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)
InChIKey
QDIMMGOJTIUSOA-UHFFFAOYSA-N
Compound name
3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

109
Patents

670.18805 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.19533 262.0
[M+Na]+ 693.17727 274.4
[M+NH4]+ 688.22187 265.0
[M+K]+ 709.15121 268.1
[M-H]- 669.18077 266.4
[M+Na-2H]- 691.16272 267.1
[M]+ 670.18750 265.8
[M]- 670.18860 265.8
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