CID 5482460

Chembl113245

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC(C)C
InChI
InChI=1S/C15H16N2O/c1-9(2)18-11-4-5-12-13-6-7-16-10(3)15(13)17-14(12)8-11/h4-9,17H,1-3H3
InChIKey
CWBJMZBYDJPZBA-UHFFFAOYSA-N
Compound name
1-methyl-7-propan-2-yloxy-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

240.12627 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.1
[M+Na]+ 263.11549 165.7
[M-H]- 239.11899 157.4
[M+NH4]+ 258.16009 173.8
[M+K]+ 279.08943 160.5
[M+H-H2O]+ 223.12353 147.8
[M+HCOO]- 285.12447 174.6
[M+CH3COO]- 299.14012 167.6
[M+Na-2H]- 261.10094 160.6
[M]+ 240.12572 158.0
[M]- 240.12682 158.0
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.