CID 5275071

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

Structural Information

Molecular Formula
C26H21N5OS
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H21N5OS/c32-25(27-23-15-7-5-12-21(23)17-19-9-2-1-3-10-19)18-33-26-28-29-30-31(26)24-16-8-13-20-11-4-6-14-22(20)24/h1-16H,17-18H2,(H,27,32)
InChIKey
LSYGQLBIKCVWIQ-UHFFFAOYSA-N
Compound name
N-(2-benzylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.14667 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.15395 205.9
[M+Na]+ 474.13589 214.6
[M-H]- 450.13939 214.7
[M+NH4]+ 469.18049 211.6
[M+K]+ 490.10983 205.0
[M+H-H2O]+ 434.14393 193.8
[M+HCOO]- 496.14487 220.9
[M+CH3COO]- 510.16052 213.8
[M+Na-2H]- 472.12134 209.1
[M]+ 451.14612 209.2
[M]- 451.14722 209.2
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.