CID 208148

31695-94-0

Structural Information

Molecular Formula
C19H19ClN2Se
SMILES
CN1CCN(CC1)C2=CC3=CC=CC=C3[Se]C4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H19ClN2Se/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3
InChIKey
WCPWSHTVFUGVAA-UHFFFAOYSA-N
Compound name
1-(3-chlorobenzo[b][1]benzoselenepin-5-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0402 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.04748 186.7
[M+Na]+ 413.02942 201.5
[M+NH4]+ 408.07402 195.9
[M+K]+ 429.00336 191.8
[M-H]- 389.03292 192.0
[M+Na-2H]- 411.01487 193.6
[M]+ 390.03965 190.9
[M]- 390.04075 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.