CID 5275072

2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-n-(2-phenylphenyl)acetamide

Structural Information

Molecular Formula
C25H19N5OS
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C25H19N5OS/c31-24(26-22-15-7-6-13-20(22)18-9-2-1-3-10-18)17-32-25-27-28-29-30(25)23-16-8-12-19-11-4-5-14-21(19)23/h1-16H,17H2,(H,26,31)
InChIKey
MGOYVPYOYLFQQI-UHFFFAOYSA-N
Compound name
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.13104 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.13832 202.0
[M+Na]+ 460.12026 211.1
[M-H]- 436.12376 210.9
[M+NH4]+ 455.16486 208.3
[M+K]+ 476.09420 201.7
[M+H-H2O]+ 420.12830 190.1
[M+HCOO]- 482.12924 217.3
[M+CH3COO]- 496.14489 210.3
[M+Na-2H]- 458.10571 205.6
[M]+ 437.13049 205.0
[M]- 437.13159 205.0
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.