CID 5275077

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

Structural Information

Molecular Formula
C20H17N5O2S
SMILES
COC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H17N5O2S/c1-27-18-12-5-4-10-16(18)21-19(26)13-28-20-22-23-24-25(20)17-11-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3,(H,21,26)
InChIKey
AYMNCUJUXGMEIA-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1103 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11758 189.7
[M+Na]+ 414.09952 199.6
[M-H]- 390.10302 196.2
[M+NH4]+ 409.14412 198.5
[M+K]+ 430.07346 192.4
[M+H-H2O]+ 374.10756 179.0
[M+HCOO]- 436.10850 205.8
[M+CH3COO]- 450.12415 199.3
[M+Na-2H]- 412.08497 193.4
[M]+ 391.10975 195.3
[M]- 391.11085 195.3
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.