CID 11501946

Acetamide, n-(2-chlorophenyl)-2-[[1-(2-isopropylphenyl)-1h-tetrazol-5-yl]thio]-

Structural Information

Molecular Formula
C18H18ClN5OS
SMILES
CC(C)C1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C18H18ClN5OS/c1-12(2)13-7-3-6-10-16(13)24-18(21-22-23-24)26-11-17(25)20-15-9-5-4-8-14(15)19/h3-10,12H,11H2,1-2H3,(H,20,25)
InChIKey
ZMGFZYSMNUIEPE-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.09207 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09935 187.9
[M+Na]+ 410.08129 196.7
[M-H]- 386.08479 193.1
[M+NH4]+ 405.12589 197.0
[M+K]+ 426.05523 189.4
[M+H-H2O]+ 370.08933 177.7
[M+HCOO]- 432.09027 197.7
[M+CH3COO]- 446.10592 196.9
[M+Na-2H]- 408.06674 186.9
[M]+ 387.09152 192.8
[M]- 387.09262 192.8
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.