CID 5275078

N-(2-ethoxyphenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C21H19N5O2S
SMILES
CCOC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H19N5O2S/c1-2-28-19-13-6-5-11-17(19)22-20(27)14-29-21-23-24-25-26(21)18-12-7-9-15-8-3-4-10-16(15)18/h3-13H,2,14H2,1H3,(H,22,27)
InChIKey
QFMXZDVVZISOSU-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12595 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13323 193.8
[M+Na]+ 428.11517 203.2
[M-H]- 404.11867 200.1
[M+NH4]+ 423.15977 202.0
[M+K]+ 444.08911 195.8
[M+H-H2O]+ 388.12321 182.9
[M+HCOO]- 450.12415 209.6
[M+CH3COO]- 464.13980 202.9
[M+Na-2H]- 426.10062 197.1
[M]+ 405.12540 199.7
[M]- 405.12650 199.7
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.