CID 5275191

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-n-(2-chloro-4-methylsulfonyl-phenyl)acetamide

Structural Information

Molecular Formula
C17H15Cl2N5O3S2
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)C)Cl)Cl
InChI
InChI=1S/C17H15Cl2N5O3S2/c1-10-3-6-15(13(19)7-10)24-17(21-22-23-24)28-9-16(25)20-14-5-4-11(8-12(14)18)29(2,26)27/h3-8H,9H2,1-2H3,(H,20,25)
InChIKey
HPALXJHYYGAVDC-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.99933 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.00661 202.0
[M+Na]+ 493.98855 213.1
[M-H]- 469.99205 207.7
[M+NH4]+ 489.03315 209.0
[M+K]+ 509.96249 204.9
[M+H-H2O]+ 453.99659 194.4
[M+HCOO]- 515.99753 202.1
[M+CH3COO]- 530.01318 227.8
[M+Na-2H]- 491.97400 200.5
[M]+ 470.99878 210.0
[M]- 470.99988 210.0
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.