CID 131884

Bn 52256

Structural Information

Molecular Formula
C19H19NOSe
SMILES
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)[Se]C=C3)CC1
InChI
InChI=1S/C19H19NOSe/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
InChIKey
VRLFMTNYDWKTEJ-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-ylidene)-6-selenatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

357.0632 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07048 181.5
[M+Na]+ 380.05242 187.1
[M-H]- 356.05592 188.7
[M+NH4]+ 375.09702 197.9
[M+K]+ 396.02636 183.4
[M+H-H2O]+ 340.06046 174.2
[M+HCOO]- 402.06140 196.7
[M+CH3COO]- 416.07705 190.8
[M+Na-2H]- 378.03787 180.9
[M]+ 357.06265 174.3
[M]- 357.06375 174.3
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

patents stripe