CID 135624012

41829-10-1

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CN1CCC2=CC(=C(C\3=C2C1CC/C3=N\O)O)OC
InChI
InChI=1S/C14H18N2O3/c1-16-6-5-8-7-11(19-2)14(17)13-9(15-18)3-4-10(16)12(8)13/h7,10,17-18H,3-6H2,1-2H3/b15-9+
InChIKey
LIQLHHDKTYCRLY-OQLLNIDSSA-N
Compound name
(7E)-7-hydroxyimino-5-methoxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 158.9
[M+Na]+ 285.120958 166.1
[M-H]- 261.124464 160.7
[M+NH4]+ 280.165563 176.2
[M+K]+ 301.094898 162.7
[M+H-H2O]+ 245.129000 151.8
[M+HCOO]- 307.129941 174.5
[M+CH3COO]- 321.145591 200.2
[M+Na-2H]- 283.106406 163.9
[M]+ 262.13119142 157.7
[M]- 262.13228858 157.7
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.