CID 5281408

Rhynchophylline

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O
InChI
InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1
InChIKey
DAXYUDFNWXHGBE-KAXDATADSA-N
Compound name
methyl (E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

192
References

760
Patents

384.2049 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 194.8
[M+Na]+ 407.19412 202.2
[M+NH4]+ 402.23872 201.8
[M+K]+ 423.16806 198.8
[M-H]- 383.19762 194.4
[M+Na-2H]- 405.17957 194.6
[M]+ 384.20435 195.3
[M]- 384.20545 195.3
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