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]+ 287.17540 166.8
[M+Na]+ 309.15734 173.9
[M-H]- 285.16084 171.5
[M+NH4]+ 304.20194 182.9
[M+K]+ 325.13128 172.1
[M+H-H2O]+ 269.16538 159.1
[M+HCOO]- 331.16632 186.5
[M+CH3COO]- 345.18197 211.8
[M+Na-2H]- 307.14279 168.1
[M]+ 286.16757 170.1
[M]- 286.16867 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.