CID 5275104

N-(3,5-dimethoxyphenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C21H19N5O3S
SMILES
COC1=CC(=CC(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43)OC
InChI
InChI=1S/C21H19N5O3S/c1-28-16-10-15(11-17(12-16)29-2)22-20(27)13-30-21-23-24-25-26(21)19-9-5-7-14-6-3-4-8-18(14)19/h3-12H,13H2,1-2H3,(H,22,27)
InChIKey
VWAOUQFWCUKGKT-UHFFFAOYSA-N
Compound name
N-(3,5-dimethoxyphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.12085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12813 197.7
[M+Na]+ 444.11007 207.5
[M-H]- 420.11357 204.4
[M+NH4]+ 439.15467 205.4
[M+K]+ 460.08401 200.9
[M+H-H2O]+ 404.11811 186.9
[M+HCOO]- 466.11905 213.6
[M+CH3COO]- 480.13470 206.9
[M+Na-2H]- 442.09552 200.5
[M]+ 421.12030 205.4
[M]- 421.12140 205.4
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.