CID 365828

Nsc633903

Structural Information

Molecular Formula
C23H26BrNOSe
SMILES
C=C(CN1CCC2(C1CCC(C2O)[Se]C3=CC=CC=C3)C4=CC=CC=C4)Br
InChI
InChI=1S/C23H26BrNOSe/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/h2-11,20-22,26H,1,12-16H2
InChIKey
BJEGZTHGWJRWMJ-UHFFFAOYSA-N
Compound name
1-(2-bromoprop-2-enyl)-3a-phenyl-5-phenylselanyl-3,4,5,6,7,7a-hexahydro-2H-indol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.0363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.04358 213.6
[M+Na]+ 514.02552 219.6
[M-H]- 490.02902 221.8
[M+NH4]+ 509.07012 228.7
[M+K]+ 529.99946 205.6
[M+H-H2O]+ 474.03356 210.8
[M+HCOO]- 536.03450 224.5
[M+CH3COO]- 550.05015 221.9
[M+Na-2H]- 512.01097 211.3
[M]+ 491.03575 226.3
[M]- 491.03685 226.3
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.