CID 365675

184691-53-0

Structural Information

Molecular Formula
C18H25N3O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN(C)C
InChI
InChI=1S/C18H25N3O/c1-19(2)11-6-7-12-21-13-10-15-14-8-4-5-9-16(14)20(3)17(15)18(21)22/h4-5,8-9H,6-7,10-13H2,1-3H3
InChIKey
DXQJZBCFXAFMAA-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)butyl]-9-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.19977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 173.6
[M+Na]+ 322.18899 181.9
[M-H]- 298.19249 177.5
[M+NH4]+ 317.23359 191.0
[M+K]+ 338.16293 177.5
[M+H-H2O]+ 282.19703 164.9
[M+HCOO]- 344.19797 193.3
[M+CH3COO]- 358.21362 213.1
[M+Na-2H]- 320.17444 176.2
[M]+ 299.19922 177.2
[M]- 299.20032 177.2
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.