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]+ 300.207046 173.6
[M+Na]+ 322.188988 181.9
[M-H]- 298.192494 177.5
[M+NH4]+ 317.233593 191.0
[M+K]+ 338.162928 177.5
[M+H-H2O]+ 282.197030 164.9
[M+HCOO]- 344.197971 193.3
[M+CH3COO]- 358.213621 213.1
[M+Na-2H]- 320.174436 176.2
[M]+ 299.19922142 177.2
[M]- 299.20031858 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.