CID 3073387

148581-40-2

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCC(C)NC(=O)C1=CN(C(=O)C2=CC=CC=C21)C
InChI
InChI=1S/C15H18N2O2/c1-4-10(2)16-14(18)13-9-17(3)15(19)12-8-6-5-7-11(12)13/h5-10H,4H2,1-3H3,(H,16,18)
InChIKey
XTIWBXFBGJBKDV-UHFFFAOYSA-N
Compound name
N-butan-2-yl-2-methyl-1-oxoisoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 158.8
[M+Na]+ 281.12606 166.9
[M-H]- 257.12956 162.3
[M+NH4]+ 276.17066 175.5
[M+K]+ 297.10000 163.6
[M+H-H2O]+ 241.13410 151.4
[M+HCOO]- 303.13504 179.7
[M+CH3COO]- 317.15069 201.5
[M+Na-2H]- 279.11151 163.0
[M]+ 258.13629 160.7
[M]- 258.13739 160.7
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.