CID 3069081

3,4-dihydro-9-(2-(dimethylamino)ethyl)-3-methyl-9h-pyrido(3,4-b)indol-1(2h)-one

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC1CC2=C(C(=O)N1)N(C3=CC=CC=C23)CCN(C)C
InChI
InChI=1S/C16H21N3O/c1-11-10-13-12-6-4-5-7-14(12)19(9-8-18(2)3)15(13)16(20)17-11/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKey
AILGTOITCJMHQC-UHFFFAOYSA-N
Compound name
9-[2-(dimethylamino)ethyl]-3-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 164.5
[M+Na]+ 294.15768 173.2
[M-H]- 270.16118 167.5
[M+NH4]+ 289.20228 182.3
[M+K]+ 310.13162 168.5
[M+H-H2O]+ 254.16572 156.6
[M+HCOO]- 316.16666 183.4
[M+CH3COO]- 330.18231 204.7
[M+Na-2H]- 292.14313 167.8
[M]+ 271.16791 165.7
[M]- 271.16901 165.7
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.