CID 5275207

2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanyl-n-[2-chloro-4-(1-piperidyl)phenyl]acetamide

Structural Information

Molecular Formula
C24H28Cl2N6OS
SMILES
CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)N4CCCCC4)Cl)Cl
InChI
InChI=1S/C24H28Cl2N6OS/c1-24(2,3)16-7-10-21(19(26)13-16)32-23(28-29-30-32)34-15-22(33)27-20-9-8-17(14-18(20)25)31-11-5-4-6-12-31/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,27,33)
InChIKey
PORKKDZJCGCYOB-UHFFFAOYSA-N
Compound name
2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-piperidin-1-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.1422 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.14948 221.5
[M+Na]+ 541.13142 228.1
[M-H]- 517.13492 226.9
[M+NH4]+ 536.17602 224.3
[M+K]+ 557.10536 219.5
[M+H-H2O]+ 501.13946 209.5
[M+HCOO]- 563.14040 219.3
[M+CH3COO]- 577.15605 226.4
[M+Na-2H]- 539.11687 217.1
[M]+ 518.14165 223.9
[M]- 518.14275 223.9
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.