CID 3073392

4-isoquinolinecarboxamide, 1,2-dihydro-n,n-bis(1-methylethyl)-2-methyl-1-oxo-

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC(C)N(C(C)C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)C
InChI
InChI=1S/C17H22N2O2/c1-11(2)19(12(3)4)17(21)15-10-18(5)16(20)14-9-7-6-8-13(14)15/h6-12H,1-5H3
InChIKey
VPKFWUHOXXXTCM-UHFFFAOYSA-N
Compound name
2-methyl-1-oxo-N,N-di(propan-2-yl)isoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 166.8
[M+Na]+ 309.157338 173.9
[M-H]- 285.160844 171.5
[M+NH4]+ 304.201943 182.9
[M+K]+ 325.131278 172.1
[M+H-H2O]+ 269.165380 159.1
[M+HCOO]- 331.166321 186.5
[M+CH3COO]- 345.181971 211.8
[M+Na-2H]- 307.142786 168.1
[M]+ 286.16757142 170.1
[M]- 286.16866858 170.1
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.