CID 372202

Nsc647153

Structural Information

Molecular Formula
C19H20N2O3
SMILES
COC(=O)C1C(=O)C(C2N1CCC3=C2NC4=CC=CC=C34)CC=C
InChI
InChI=1S/C19H20N2O3/c1-3-6-13-16-15-12(11-7-4-5-8-14(11)20-15)9-10-21(16)17(18(13)22)19(23)24-2/h3-5,7-8,13,16-17,20H,1,6,9-10H2,2H3
InChIKey
UNYOSZHECOEITR-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1-prop-2-enyl-1,3,5,6,11,11b-hexahydroindolizino[8,7-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 178.0
[M+Na]+ 347.13662 186.9
[M-H]- 323.14012 180.7
[M+NH4]+ 342.18122 195.7
[M+K]+ 363.11056 180.6
[M+H-H2O]+ 307.14466 171.3
[M+HCOO]- 369.14560 192.9
[M+CH3COO]- 383.16125 188.2
[M+Na-2H]- 345.12207 177.0
[M]+ 324.14685 178.9
[M]- 324.14795 178.9
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.