CID 5275070

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

Structural Information

Molecular Formula
C22H21N5OS
SMILES
CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H21N5OS/c1-15(2)17-10-5-6-12-19(17)23-21(28)14-29-22-24-25-26-27(22)20-13-7-9-16-8-3-4-11-18(16)20/h3-13,15H,14H2,1-2H3,(H,23,28)
InChIKey
LYDHRUFSMFNNFG-UHFFFAOYSA-N
Compound name
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.14667 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.15395 195.2
[M+Na]+ 426.13589 204.1
[M-H]- 402.13939 201.5
[M+NH4]+ 421.18049 203.6
[M+K]+ 442.10983 196.4
[M+H-H2O]+ 386.14393 184.6
[M+HCOO]- 448.14487 209.5
[M+CH3COO]- 462.16052 204.0
[M+Na-2H]- 424.12134 196.9
[M]+ 403.14612 199.7
[M]- 403.14722 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.