CID 3041510

9h-pyrido(3,4-b)indol-1(2h)-one, 3,4-dihydro-9-(2-(dimethylamino)ethyl)-7-methoxy-

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CN(C)CCN1C2=C(C=CC(=C2)OC)C3=C1C(=O)NCC3
InChI
InChI=1S/C16H21N3O2/c1-18(2)8-9-19-14-10-11(21-3)4-5-12(14)13-6-7-17-16(20)15(13)19/h4-5,10H,6-9H2,1-3H3,(H,17,20)
InChIKey
FXFLDFZLEDUGPP-UHFFFAOYSA-N
Compound name
9-[2-(dimethylamino)ethyl]-7-methoxy-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 167.3
[M+Na]+ 310.152618 175.8
[M-H]- 286.156124 170.2
[M+NH4]+ 305.197223 184.3
[M+K]+ 326.126558 171.7
[M+H-H2O]+ 270.160660 159.2
[M+HCOO]- 332.161601 186.3
[M+CH3COO]- 346.177251 206.9
[M+Na-2H]- 308.138066 170.7
[M]+ 287.16285142 169.9
[M]- 287.16394858 169.9
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

patents stripe