CID 86024879

838823-88-4

Structural Information

Molecular Formula
C15H10N2O2
SMILES
COC(=O)C1=CC(=C2N1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C15H10N2O2/c1-19-15(18)13-8-11(9-16)14-12-5-3-2-4-10(12)6-7-17(13)14/h2-8H,1H3
InChIKey
CYAHBGZGAJGHJB-UHFFFAOYSA-N
Compound name
methyl 1-cyanopyrrolo[2,1-a]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08151 160.0
[M+Na]+ 273.06345 173.4
[M-H]- 249.06695 163.6
[M+NH4]+ 268.10805 177.9
[M+K]+ 289.03739 166.0
[M+H-H2O]+ 233.07149 146.4
[M+HCOO]- 295.07243 178.8
[M+CH3COO]- 309.08808 171.6
[M+Na-2H]- 271.04890 165.0
[M]+ 250.07368 158.9
[M]- 250.07478 158.9
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.