CID 10220900

(4s)-4-ethyl-7,8-dihydro-4-hydroxy-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione

Structural Information

Molecular Formula
C13H13NO5
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
InChI
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m0/s1
InChIKey
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
Compound name
(4S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

394
Patents

263.07938 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.086656 152.7
[M+Na]+ 286.068598 163.6
[M-H]- 262.072104 156.9
[M+NH4]+ 281.113203 172.4
[M+K]+ 302.042538 161.1
[M+H-H2O]+ 246.076640 147.5
[M+HCOO]- 308.077581 169.6
[M+CH3COO]- 322.093231 193.7
[M+Na-2H]- 284.054046 158.0
[M]+ 263.07883142 154.9
[M]- 263.07992858 154.9
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