CID 1278692

Ethyl 1-cyanopyrrolo[2,1-a]isoquinoline-3-carboxylate

Structural Information

Molecular Formula
C16H12N2O2
SMILES
CCOC(=O)C1=CC(=C2N1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C16H12N2O2/c1-2-20-16(19)14-9-12(10-17)15-13-6-4-3-5-11(13)7-8-18(14)15/h3-9H,2H2,1H3
InChIKey
ISOCJRWJKCBFMR-UHFFFAOYSA-N
Compound name
ethyl 1-cyanopyrrolo[2,1-a]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 162.0
[M+Na]+ 287.07909 175.9
[M+NH4]+ 282.12369 167.1
[M+K]+ 303.05303 166.7
[M-H]- 263.08259 156.9
[M+Na-2H]- 285.06454 165.2
[M]+ 264.08932 161.8
[M]- 264.09042 161.8
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.