CID 16078160

Benzamide, n-[3-chloro-4-[[2-[[1-[2-chloro-4-(1,1-dimethylethyl)phenyl]-1h-tetrazol-5-yl]thio]acetyl]amino]phenyl]-3-hydroxy-

Structural Information

Molecular Formula
C26H24Cl2N6O3S
SMILES
CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)O)Cl)Cl
InChI
InChI=1S/C26H24Cl2N6O3S/c1-26(2,3)16-7-10-22(20(28)12-16)34-25(31-32-33-34)38-14-23(36)30-21-9-8-17(13-19(21)27)29-24(37)15-5-4-6-18(35)11-15/h4-13,35H,14H2,1-3H3,(H,29,37)(H,30,36)
InChIKey
ALGIOJZQLMUBCT-UHFFFAOYSA-N
Compound name
N-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenyl]-3-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.10077 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.10805 229.7
[M+Na]+ 593.08999 237.0
[M-H]- 569.09349 236.8
[M+NH4]+ 588.13459 231.0
[M+K]+ 609.06393 228.9
[M+H-H2O]+ 553.09803 219.4
[M+HCOO]- 615.09897 231.7
[M+CH3COO]- 629.11462 249.9
[M+Na-2H]- 591.07544 227.6
[M]+ 570.10022 236.4
[M]- 570.10132 236.4
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.