CID 5275105

2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-n-(2-pyridyl)acetamide

Structural Information

Molecular Formula
C18H14N6OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=CC=N4
InChI
InChI=1S/C18H14N6OS/c25-17(20-16-10-3-4-11-19-16)12-26-18-21-22-23-24(18)15-9-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,19,20,25)
InChIKey
DCHNSRIYZZGWBG-UHFFFAOYSA-N
Compound name
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09497 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10225 180.7
[M+Na]+ 385.08419 191.1
[M-H]- 361.08769 185.9
[M+NH4]+ 380.12879 189.3
[M+K]+ 401.05813 183.3
[M+H-H2O]+ 345.09223 169.9
[M+HCOO]- 407.09317 196.1
[M+CH3COO]- 421.10882 190.4
[M+Na-2H]- 383.06964 186.1
[M]+ 362.09442 184.4
[M]- 362.09552 184.4
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.