CID 3073390

4-isoquinolinecarboxamide, 1,2-dihydro-n,n-di-2-propenyl-2-methyl-1-oxo-

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CN1C=C(C2=CC=CC=C2C1=O)C(=O)N(CC=C)CC=C
InChI
InChI=1S/C17H18N2O2/c1-4-10-19(11-5-2)17(21)15-12-18(3)16(20)14-9-7-6-8-13(14)15/h4-9,12H,1-2,10-11H2,3H3
InChIKey
AKRXFPURAGRGTA-UHFFFAOYSA-N
Compound name
2-methyl-1-oxo-N,N-bis(prop-2-enyl)isoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13684 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 164.7
[M+Na]+ 305.12606 173.0
[M-H]- 281.12956 169.3
[M+NH4]+ 300.17066 180.9
[M+K]+ 321.10000 168.7
[M+H-H2O]+ 265.13410 156.7
[M+HCOO]- 327.13504 186.8
[M+CH3COO]- 341.15069 208.3
[M+Na-2H]- 303.11151 168.4
[M]+ 282.13629 167.8
[M]- 282.13739 167.8
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.