CID 5482458

7-ethoxy-1-methyl-9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C14H14N2O
SMILES
CCOC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C14H14N2O/c1-3-17-10-4-5-11-12-6-7-15-9(2)14(12)16-13(11)8-10/h4-8,16H,3H2,1-2H3
InChIKey
KDMPNKKDSIRRRQ-UHFFFAOYSA-N
Compound name
7-ethoxy-1-methyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

226.11061 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.0
[M+Na]+ 249.09983 161.4
[M-H]- 225.10333 152.4
[M+NH4]+ 244.14443 169.4
[M+K]+ 265.07377 156.0
[M+H-H2O]+ 209.10787 142.8
[M+HCOO]- 271.10881 170.9
[M+CH3COO]- 285.12446 163.1
[M+Na-2H]- 247.08528 157.3
[M]+ 226.11006 153.2
[M]- 226.11116 153.2
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.