CID 11523849

Acetamide, n-(3-cyano-2-thienyl)-2-[[1-(2,4,6-trimethylphenyl)-1h-tetrazol-5-yl]thio]-

Structural Information

Molecular Formula
C17H16N6OS2
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(C=CS3)C#N)C
InChI
InChI=1S/C17H16N6OS2/c1-10-6-11(2)15(12(3)7-10)23-17(20-21-22-23)26-9-14(24)19-16-13(8-18)4-5-25-16/h4-7H,9H2,1-3H3,(H,19,24)
InChIKey
HPAUIYJXSILWEA-UHFFFAOYSA-N
Compound name
N-(3-cyanothiophen-2-yl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0827 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08998 192.7
[M+Na]+ 407.07192 205.8
[M-H]- 383.07542 197.5
[M+NH4]+ 402.11652 202.6
[M+K]+ 423.04586 199.4
[M+H-H2O]+ 367.07996 177.5
[M+HCOO]- 429.08090 201.8
[M+CH3COO]- 443.09655 201.1
[M+Na-2H]- 405.05737 188.1
[M]+ 384.08215 193.7
[M]- 384.08325 193.7
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.