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]+ 315.206706 177.2
[M+Na]+ 337.188648 183.9
[M-H]- 313.192154 181.2
[M+NH4]+ 332.233253 192.2
[M+K]+ 353.162588 180.4
[M+H-H2O]+ 297.196690 168.5
[M+HCOO]- 359.197631 198.2
[M+CH3COO]- 373.213281 215.9
[M+Na-2H]- 335.174096 179.6
[M]+ 314.19888142 182.3
[M]- 314.19997858 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.