CID 5482459

1-methyl-9h-pyrido[3,4-b]indol-7-ol 7-acetate

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC(=O)C
InChI
InChI=1S/C14H12N2O2/c1-8-14-12(5-6-15-8)11-4-3-10(18-9(2)17)7-13(11)16-14/h3-7,16H,1-2H3
InChIKey
SFZZHOSLBHIXJJ-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

240.08987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.6
[M+Na]+ 263.07909 163.9
[M-H]- 239.08259 155.2
[M+NH4]+ 258.12369 171.3
[M+K]+ 279.05303 159.0
[M+H-H2O]+ 223.08713 145.5
[M+HCOO]- 285.08807 172.9
[M+CH3COO]- 299.10372 165.5
[M+Na-2H]- 261.06454 158.8
[M]+ 240.08932 155.9
[M]- 240.09042 155.9
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