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]+ 315.206706 176.4
[M+Na]+ 337.188648 182.5
[M-H]- 313.192154 180.6
[M+NH4]+ 332.233253 191.3
[M+K]+ 353.162588 180.2
[M+H-H2O]+ 297.196690 168.2
[M+HCOO]- 359.197631 195.4
[M+CH3COO]- 373.213281 217.7
[M+Na-2H]- 335.174096 176.6
[M]+ 314.19888142 180.3
[M]- 314.19997858 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.