CID 280078

68950-07-2

Structural Information

Molecular Formula
C16H13NO4
SMILES
COC(=O)C1=CN2C=CC3=CC=CC=C3C2=C1C(=O)OC
InChI
InChI=1S/C16H13NO4/c1-20-15(18)12-9-17-8-7-10-5-3-4-6-11(10)14(17)13(12)16(19)21-2/h3-9H,1-2H3
InChIKey
GZVCIMDRCRCRFS-UHFFFAOYSA-N
Compound name
dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08447 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 162.0
[M+Na]+ 306.07369 172.4
[M-H]- 282.07719 167.2
[M+NH4]+ 301.11829 180.7
[M+K]+ 322.04763 169.4
[M+H-H2O]+ 266.08173 155.1
[M+HCOO]- 328.08267 183.9
[M+CH3COO]- 342.09832 200.3
[M+Na-2H]- 304.05914 166.7
[M]+ 283.08392 168.7
[M]- 283.08502 168.7
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.