CID 3073393

148581-46-8

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCCCN(CCCC)C(=O)C1=CN(C(=O)C2=CC=CC=C21)C
InChI
InChI=1S/C19H26N2O2/c1-4-6-12-21(13-7-5-2)19(23)17-14-20(3)18(22)16-11-9-8-10-15(16)17/h8-11,14H,4-7,12-13H2,1-3H3
InChIKey
AUMOLAQXBQTMJF-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2-methyl-1-oxoisoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.2
[M+Na]+ 337.18865 183.9
[M-H]- 313.19215 181.2
[M+NH4]+ 332.23325 192.2
[M+K]+ 353.16259 180.4
[M+H-H2O]+ 297.19669 168.5
[M+HCOO]- 359.19763 198.2
[M+CH3COO]- 373.21328 215.9
[M+Na-2H]- 335.17410 179.6
[M]+ 314.19888 182.3
[M]- 314.19998 182.3
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.