CID 217849

Brn 0455690

Structural Information

Molecular Formula
C20H24N2O5
SMILES
CCCCNC(=O)C1=C(N2CCC3=CC(=C(C=C3C2=C1)OC)OC)C(=O)O
InChI
InChI=1S/C20H24N2O5/c1-4-5-7-21-19(23)14-10-15-13-11-17(27-3)16(26-2)9-12(13)6-8-22(15)18(14)20(24)25/h9-11H,4-8H2,1-3H3,(H,21,23)(H,24,25)
InChIKey
AYUJNWLCYNCQTK-UHFFFAOYSA-N
Compound name
2-(butylcarbamoyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17580 187.7
[M+Na]+ 395.15774 194.1
[M-H]- 371.16124 190.3
[M+NH4]+ 390.20234 201.6
[M+K]+ 411.13168 190.9
[M+H-H2O]+ 355.16578 180.3
[M+HCOO]- 417.16672 204.7
[M+CH3COO]- 431.18237 221.1
[M+Na-2H]- 393.14319 187.5
[M]+ 372.16797 192.6
[M]- 372.16907 192.6
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.