CID 16077800

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

Structural Information

Molecular Formula
C25H24Cl2N6O3S2
SMILES
CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)Cl)Cl
InChI
InChI=1S/C25H24Cl2N6O3S2/c1-25(2,3)16-9-12-22(20(27)13-16)33-24(29-31-32-33)37-15-23(34)28-21-11-10-18(14-19(21)26)38(35,36)30-17-7-5-4-6-8-17/h4-14,30H,15H2,1-3H3,(H,28,34)
InChIKey
YGZAZOMRWZEHED-UHFFFAOYSA-N
Compound name
2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(phenylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.0728 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.08008 232.5
[M+Na]+ 613.06202 240.5
[M-H]- 589.06552 240.5
[M+NH4]+ 608.10662 234.1
[M+K]+ 629.03596 231.8
[M+H-H2O]+ 573.07006 223.4
[M+HCOO]- 635.07100 231.2
[M+CH3COO]- 649.08665 250.7
[M+Na-2H]- 611.04747 233.3
[M]+ 590.07225 239.8
[M]- 590.07335 239.8
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.