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]+ 340.23833 186.4
[M+Na]+ 362.22027 192.1
[M-H]- 338.22377 189.3
[M+NH4]+ 357.26487 199.4
[M+K]+ 378.19421 185.3
[M+H-H2O]+ 322.22831 175.3
[M+HCOO]- 384.22925 199.0
[M+CH3COO]- 398.24490 194.5
[M+Na-2H]- 360.20572 186.1
[M]+ 339.23050 183.8
[M]- 339.23160 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.