CID 55929

3-isoquinolinol, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-isopropoxy-

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)OC1=C2CCCCC2=C(C(=O)N1)C(=N)C
InChI
InChI=1S/C14H20N2O2/c1-8(2)18-14-11-7-5-4-6-10(11)12(9(3)15)13(17)16-14/h8,15H,4-7H2,1-3H3,(H,16,17)
InChIKey
PUGKMRZCKHFDGY-UHFFFAOYSA-N
Compound name
4-ethanimidoyl-1-propan-2-yloxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 157.2
[M+Na]+ 271.14170 167.8
[M+NH4]+ 266.18630 164.2
[M+K]+ 287.11564 162.4
[M-H]- 247.14520 158.4
[M+Na-2H]- 269.12715 160.5
[M]+ 248.15193 158.7
[M]- 248.15303 158.7
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.