CID 365829

Nsc633904

Structural Information

Molecular Formula
C23H24BrNOSe
SMILES
C=C(CN1CCC2(C1CCC(C2=O)[Se]C3=CC=CC=C3)C4=CC=CC=C4)Br
InChI
InChI=1S/C23H24BrNOSe/c1-17(24)16-25-15-14-23(18-8-4-2-5-9-18)21(25)13-12-20(22(23)26)27-19-10-6-3-7-11-19/h2-11,20-21H,1,12-16H2
InChIKey
KFQLJZAASOBVCO-UHFFFAOYSA-N
Compound name
1-(2-bromoprop-2-enyl)-3a-phenyl-5-phenylselanyl-2,3,5,6,7,7a-hexahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.02066 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.02794 212.2
[M+Na]+ 512.00988 219.0
[M-H]- 488.01338 221.7
[M+NH4]+ 507.05448 228.0
[M+K]+ 527.98382 205.2
[M+H-H2O]+ 472.01792 209.1
[M+HCOO]- 534.01886 224.7
[M+CH3COO]- 548.03451 221.2
[M+Na-2H]- 509.99533 210.2
[M]+ 489.02011 225.9
[M]- 489.02121 225.9
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.