CID 2810449

Chembl377010

Structural Information

Molecular Formula
C18H18ClN5OS
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl)C
InChI
InChI=1S/C18H18ClN5OS/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)26-10-16(25)20-15-7-5-4-6-14(15)19/h4-9H,10H2,1-3H3,(H,20,25)
InChIKey
IZTWDVIZDRDIQB-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
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 190.1
[M+Na]+ 410.08129 201.0
[M-H]- 386.08479 195.9
[M+NH4]+ 405.12589 199.8
[M+K]+ 426.05523 193.1
[M+H-H2O]+ 370.08933 180.2
[M+HCOO]- 432.09027 200.7
[M+CH3COO]- 446.10592 199.8
[M+Na-2H]- 408.06674 188.3
[M]+ 387.09152 196.3
[M]- 387.09262 196.3
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.