CID 47901

66354-91-4

Structural Information

Molecular Formula
C23H16ClN5OS
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)Cl)SCC5=NNN=N5
InChI
InChI=1S/C23H16ClN5OS/c24-17-12-10-16(11-13-17)23(30)29-19-9-5-4-8-18(19)22(31-14-20-25-27-28-26-20)21(29)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,26,27,28)
InChIKey
RWTNVULKVQQHIR-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)indol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.07642 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.08370 201.1
[M+Na]+ 468.06564 219.4
[M+NH4]+ 463.11024 208.4
[M+K]+ 484.03958 211.4
[M-H]- 444.06914 207.2
[M+Na-2H]- 466.05109 211.7
[M]+ 445.07587 206.4
[M]- 445.07697 206.4
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.