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

literature stripe

Patent stripe

patents stripe