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]+ 272.175736 164.5
[M+Na]+ 294.157678 173.2
[M-H]- 270.161184 167.5
[M+NH4]+ 289.202283 182.3
[M+K]+ 310.131618 168.5
[M+H-H2O]+ 254.165720 156.6
[M+HCOO]- 316.166661 183.4
[M+CH3COO]- 330.182311 204.7
[M+Na-2H]- 292.143126 167.8
[M]+ 271.16791142 165.7
[M]- 271.16900858 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.