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 187.9
[M+Na]+ 413.02942 195.7
[M-H]- 389.03292 193.1
[M+NH4]+ 408.07402 201.0
[M+K]+ 429.00336 191.5
[M+H-H2O]+ 373.03746 178.0
[M+HCOO]- 435.03840 197.6
[M+CH3COO]- 449.05405 196.5
[M+Na-2H]- 411.01487 190.6
[M]+ 390.03965 183.8
[M]- 390.04075 183.8
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.