CID 73081505

Schembl28495375

Structural Information

Molecular Formula
C22H26N2O4
SMILES
COC=C(C1CC2C3(CCN2CC1C=C)C4=CC=CC=C4NC3=O)C(=O)OC
InChI
InChI=1S/C22H26N2O4/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/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)
InChIKey
MUVGVMUWMAGNSY-UHFFFAOYSA-N
Compound name
methyl 2-(6'-ethenyl-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
1
Annotation Hits

0
References

4
Patents

382.18927 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.196546 194.9
[M+Na]+ 405.178488 200.2
[M-H]- 381.181994 197.5
[M+NH4]+ 400.223093 210.9
[M+K]+ 421.152428 194.4
[M+H-H2O]+ 365.186530 187.8
[M+HCOO]- 427.187471 205.5
[M+CH3COO]- 441.203121 216.3
[M+Na-2H]- 403.163936 190.6
[M]+ 382.18872142 192.0
[M]- 382.18981858 192.0
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