CID 212547

Brn 0561021

Structural Information

Molecular Formula
C19H22N2Se
SMILES
CN1CCN(CC1)C2CC3=CC=CC=C3[Se]C4=CC=CC=C24
InChI
InChI=1S/C19H22N2Se/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,17H,10-14H2,1H3
InChIKey
PPQAIDAYDPKTDJ-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzoselenepin-5-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10210 182.2
[M+Na]+ 381.08404 186.6
[M-H]- 357.08754 187.1
[M+NH4]+ 376.12864 195.1
[M+K]+ 397.05798 183.5
[M+H-H2O]+ 341.09208 172.3
[M+HCOO]- 403.09302 194.7
[M+CH3COO]- 417.10867 190.2
[M+Na-2H]- 379.06949 185.0
[M]+ 358.09427 174.2
[M]- 358.09537 174.2
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.