CID 11596503

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

Structural Information

Molecular Formula
C18H19N5O2S2
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(SC=C3)C(=O)C)C
InChI
InChI=1S/C18H19N5O2S2/c1-10-7-11(2)16(12(3)8-10)23-18(20-21-22-23)27-9-15(25)19-14-5-6-26-17(14)13(4)24/h5-8H,9H2,1-4H3,(H,19,25)
InChIKey
WYXPKMVZVSAPRJ-UHFFFAOYSA-N
Compound name
N-(2-acetylthiophen-3-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

401.09802 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10530 192.0
[M+Na]+ 424.08724 203.5
[M-H]- 400.09074 199.1
[M+NH4]+ 419.13184 202.9
[M+K]+ 440.06118 196.9
[M+H-H2O]+ 384.09528 184.5
[M+HCOO]- 446.09622 204.0
[M+CH3COO]- 460.11187 202.2
[M+Na-2H]- 422.07269 186.9
[M]+ 401.09747 200.0
[M]- 401.09857 200.0
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.