CID 451426

113361-39-0

Structural Information

Molecular Formula
C14H15NO4
SMILES
CC1=C(C(=O)C2=C(C1=O)CC3CCC(=O)N3C2)OC
InChI
InChI=1S/C14H15NO4/c1-7-12(17)9-5-8-3-4-11(16)15(8)6-10(9)13(18)14(7)19-2/h8H,3-6H2,1-2H3
InChIKey
PBORNPAGXPXLHL-UHFFFAOYSA-N
Compound name
7-methoxy-8-methyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-3,6,9-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.1001 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 155.7
[M+Na]+ 284.08932 165.4
[M-H]- 260.09282 160.0
[M+NH4]+ 279.13392 175.6
[M+K]+ 300.06326 162.0
[M+H-H2O]+ 244.09736 149.9
[M+HCOO]- 306.09830 173.0
[M+CH3COO]- 320.11395 198.7
[M+Na-2H]- 282.07477 157.1
[M]+ 261.09955 156.4
[M]- 261.10065 156.4
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

No patent data available for this compound.