CID 5275099

Acetamide, n-(2-chloro-4-methoxyphenyl)-2-[[1-(1-naphthalenyl)-1h-tetrazol-5-yl]thio]-

Structural Information

Molecular Formula
C20H16ClN5O2S
SMILES
COC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43)Cl
InChI
InChI=1S/C20H16ClN5O2S/c1-28-14-9-10-17(16(21)11-14)22-19(27)12-29-20-23-24-25-26(20)18-8-4-6-13-5-2-3-7-15(13)18/h2-11H,12H2,1H3,(H,22,27)
InChIKey
PROFBRWEKBLPMR-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-methoxyphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.07132 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.07860 195.8
[M+Na]+ 448.06054 207.0
[M-H]- 424.06404 202.4
[M+NH4]+ 443.10514 204.4
[M+K]+ 464.03448 198.9
[M+H-H2O]+ 408.06858 185.5
[M+HCOO]- 470.06952 207.2
[M+CH3COO]- 484.08517 205.2
[M+Na-2H]- 446.04599 198.4
[M]+ 425.07077 204.0
[M]- 425.07187 204.0
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.