CID 365676

184691-54-1

Structural Information

Molecular Formula
C21H29N3O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCCCC4
InChI
InChI=1S/C21H29N3O/c1-22-19-10-4-3-9-17(19)18-11-16-24(21(25)20(18)22)15-8-7-14-23-12-5-2-6-13-23/h3-4,9-10H,2,5-8,11-16H2,1H3
InChIKey
YVZBAVVPVSFSCE-UHFFFAOYSA-N
Compound name
9-methyl-2-(4-piperidin-1-ylbutyl)-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.238326 186.4
[M+Na]+ 362.220268 192.1
[M-H]- 338.223774 189.3
[M+NH4]+ 357.264873 199.4
[M+K]+ 378.194208 185.3
[M+H-H2O]+ 322.228310 175.3
[M+HCOO]- 384.229251 199.0
[M+CH3COO]- 398.244901 194.5
[M+Na-2H]- 360.205716 186.1
[M]+ 339.23050142 183.8
[M]- 339.23159858 183.8
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.