CID 5275218

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

Structural Information

Molecular Formula
C17H15Cl2N5OS
SMILES
CCC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C17H15Cl2N5OS/c1-2-11-7-8-15(13(19)9-11)24-17(21-22-23-24)26-10-16(25)20-14-6-4-3-5-12(14)18/h3-9H,2,10H2,1H3,(H,20,25)
InChIKey
PBLWPCBSDUFUQK-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.03745 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.04473 189.4
[M+Na]+ 430.02667 199.8
[M-H]- 406.03017 194.2
[M+NH4]+ 425.07127 198.4
[M+K]+ 446.00061 191.6
[M+H-H2O]+ 390.03471 179.5
[M+HCOO]- 452.03565 195.2
[M+CH3COO]- 466.05130 198.4
[M+Na-2H]- 428.01212 188.2
[M]+ 407.03690 195.7
[M]- 407.03800 195.7
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.