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]+ 263.13902 158.9
[M+Na]+ 285.12096 166.1
[M-H]- 261.12446 160.7
[M+NH4]+ 280.16556 176.2
[M+K]+ 301.09490 162.7
[M+H-H2O]+ 245.12900 151.8
[M+HCOO]- 307.12994 174.5
[M+CH3COO]- 321.14559 200.2
[M+Na-2H]- 283.10641 163.9
[M]+ 262.13119 157.7
[M]- 262.13229 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.