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

literature stripe

Patent stripe

patents stripe