CID 3073394

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

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC(C)CN(CC(C)C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)C
InChI
InChI=1S/C19H26N2O2/c1-13(2)10-21(11-14(3)4)19(23)17-12-20(5)18(22)16-9-7-6-8-15(16)17/h6-9,12-14H,10-11H2,1-5H3
InChIKey
AVMWGDNIUOPLBF-UHFFFAOYSA-N
Compound name
2-methyl-N,N-bis(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.4
[M+Na]+ 337.18865 182.5
[M-H]- 313.19215 180.6
[M+NH4]+ 332.23325 191.3
[M+K]+ 353.16259 180.2
[M+H-H2O]+ 297.19669 168.2
[M+HCOO]- 359.19763 195.4
[M+CH3COO]- 373.21328 217.7
[M+Na-2H]- 335.17410 176.6
[M]+ 314.19888 180.3
[M]- 314.19998 180.3
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.