CID 209765

Brn 0454108

Structural Information

Molecular Formula
C21H28N2O4
SMILES
CCOC(=O)C1=C(C(=C2N1CCC3=CC(=C(C=C32)OC)OC)CN(C)C)C
InChI
InChI=1S/C21H28N2O4/c1-7-27-21(24)19-13(2)16(12-22(3)4)20-15-11-18(26-6)17(25-5)10-14(15)8-9-23(19)20/h10-11H,7-9,12H2,1-6H3
InChIKey
DVSRBABZVPNOBM-UHFFFAOYSA-N
Compound name
ethyl 1-[(dimethylamino)methyl]-8,9-dimethoxy-2-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2049 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.212176 191.1
[M+Na]+ 395.194118 198.9
[M-H]- 371.197624 196.7
[M+NH4]+ 390.238723 207.0
[M+K]+ 411.168058 196.8
[M+H-H2O]+ 355.202160 183.4
[M+HCOO]- 417.203101 210.4
[M+CH3COO]- 431.218751 228.4
[M+Na-2H]- 393.179566 190.3
[M]+ 372.20435142 199.7
[M]- 372.20544858 199.7
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.