CID 104999

Dmcm

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CCC1=C2C3=CC(=C(C=C3NC2=CN=C1C(=O)OC)OC)OC
InChI
InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
InChIKey
GADIKQPUNWAMEB-UHFFFAOYSA-N
Compound name
methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

245
References

524
Patents

314.12665 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.9
[M+Na]+ 337.11587 186.7
[M+NH4]+ 332.16047 179.5
[M+K]+ 353.08981 182.4
[M-H]- 313.11937 173.4
[M+Na-2H]- 335.10132 176.4
[M]+ 314.12610 174.9
[M]- 314.12720 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe