CID 461169

147808-86-4

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC(=O)C1=CN2CC3=CC=CC=C3CC2=C1C(=O)OC
InChI
InChI=1S/C16H15NO4/c1-20-15(18)12-9-17-8-11-6-4-3-5-10(11)7-13(17)14(12)16(19)21-2/h3-6,9H,7-8H2,1-2H3
InChIKey
VMVOJRLYSMRDBR-UHFFFAOYSA-N
Compound name
dimethyl 5,10-dihydropyrrolo[1,2-b]isoquinoline-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 163.7
[M+Na]+ 308.08932 172.1
[M-H]- 284.09282 168.0
[M+NH4]+ 303.13392 182.1
[M+K]+ 324.06326 169.4
[M+H-H2O]+ 268.09736 156.8
[M+HCOO]- 330.09830 182.7
[M+CH3COO]- 344.11395 200.9
[M+Na-2H]- 306.07477 166.5
[M]+ 285.09955 167.5
[M]- 285.10065 167.5
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.