CID 258916

Nsc88379

Structural Information

Molecular Formula
C22H17NS
SMILES
C1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC=C3S)C4=CC=CC=C4
InChI
InChI=1S/C22H17NS/c24-22-14-8-7-13-21(22)23-19(17-9-3-1-4-10-17)15-16-20(23)18-11-5-2-6-12-18/h1-16,24H
InChIKey
QVSUAHZNAOEGJL-UHFFFAOYSA-N
Compound name
2-(2,5-diphenylpyrrol-1-yl)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1082 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11548 177.4
[M+Na]+ 350.09742 187.1
[M-H]- 326.10092 189.6
[M+NH4]+ 345.14202 192.3
[M+K]+ 366.07136 179.4
[M+H-H2O]+ 310.10546 168.3
[M+HCOO]- 372.10640 196.6
[M+CH3COO]- 386.12205 189.3
[M+Na-2H]- 348.08287 178.1
[M]+ 327.10765 178.9
[M]- 327.10875 178.9
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.