CID 353020

3-isoquinolinecarboxamide, 1,2-dihydro-2,4-dimethyl-n-(2-(dimethylamino)ethyl)-1-oxo-

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC1=C(N(C(=O)C2=CC=CC=C12)C)C(=O)NCCN(C)C
InChI
InChI=1S/C16H21N3O2/c1-11-12-7-5-6-8-13(12)16(21)19(4)14(11)15(20)17-9-10-18(2)3/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKey
BCVKSZPWGBGKRX-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxoisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

287.1634 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 167.4
[M+Na]+ 310.152618 175.4
[M-H]- 286.156124 172.3
[M+NH4]+ 305.197223 183.5
[M+K]+ 326.126558 172.8
[M+H-H2O]+ 270.160660 159.2
[M+HCOO]- 332.161601 190.4
[M+CH3COO]- 346.177251 213.3
[M+Na-2H]- 308.138066 171.1
[M]+ 287.16285142 171.1
[M]- 287.16394858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.