CID 166423445

1-(2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl)-4-nitrosopiperazine

Structural Information

Molecular Formula
C20H19N3OS2
SMILES
C1CN(CCN1C2=C3CC(SC3=CC=C2)C4=C5C=CSC5=CC=C4)N=O
InChI
InChI=1S/C20H19N3OS2/c24-21-23-10-8-22(9-11-23)17-4-2-6-19-16(17)13-20(26-19)14-3-1-5-18-15(14)7-12-25-18/h1-7,12,20H,8-11,13H2
InChIKey
XPPIMRCWLLAGSN-UHFFFAOYSA-N
Compound name
1-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.09695 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10423 184.7
[M+Na]+ 404.08617 194.9
[M-H]- 380.08967 195.0
[M+NH4]+ 399.13077 201.1
[M+K]+ 420.06011 188.5
[M+H-H2O]+ 364.09421 178.0
[M+HCOO]- 426.09515 196.4
[M+CH3COO]- 440.11080 195.4
[M+Na-2H]- 402.07162 184.1
[M]+ 381.09640 187.5
[M]- 381.09750 187.5
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.