CID 55924

5,6,7,8-tetrahydro-2-butyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2h)-one

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCCCN1C(=C2CCCCC2=C(C1=O)C(=N)C)O
InChI
InChI=1S/C15H22N2O2/c1-3-4-9-17-14(18)12-8-6-5-7-11(12)13(10(2)16)15(17)19/h16,18H,3-9H2,1-2H3
InChIKey
GKORQAMKIPSPME-UHFFFAOYSA-N
Compound name
2-butyl-4-ethanimidoyl-1-hydroxy-5,6,7,8-tetrahydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 161.5
[M+Na]+ 285.15734 168.3
[M-H]- 261.16084 163.0
[M+NH4]+ 280.20194 177.5
[M+K]+ 301.13128 163.9
[M+H-H2O]+ 245.16538 154.5
[M+HCOO]- 307.16632 178.9
[M+CH3COO]- 321.18197 200.8
[M+Na-2H]- 283.14279 163.7
[M]+ 262.16757 159.8
[M]- 262.16867 159.8
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.