CID 391444

Nsc690648

Structural Information

Molecular Formula
C19H19N3S
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H19N3S/c23-19(17-14-20-18-9-5-4-8-16(17)18)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14,20H,10-13H2
InChIKey
QTSOPXNYURBTDB-UHFFFAOYSA-N
Compound name
1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.12997 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13725 174.2
[M+Na]+ 344.11919 181.8
[M-H]- 320.12269 179.3
[M+NH4]+ 339.16379 186.8
[M+K]+ 360.09313 173.9
[M+H-H2O]+ 304.12723 165.0
[M+HCOO]- 366.12817 185.2
[M+CH3COO]- 380.14382 183.5
[M+Na-2H]- 342.10464 174.6
[M]+ 321.12942 171.0
[M]- 321.13052 171.0
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.