CID 9570531

5h-benzo(4,5)cyclohepta(1,2-b)pyridin-5-one, o-(2-(dimethylamino)ethyl)oxime, maleate (1:1)

Structural Information

Molecular Formula
C18H19N3O
SMILES
CN(C)CCO/N=C/1\C2=C(C=CC3=CC=CC=C31)N=CC=C2
InChI
InChI=1S/C18H19N3O/c1-21(2)12-13-22-20-18-15-7-4-3-6-14(15)9-10-17-16(18)8-5-11-19-17/h3-11H,12-13H2,1-2H3/b20-18-
InChIKey
ACJQPOOXNZMPLB-ZZEZOPTASA-N
Compound name
2-[(Z)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ylideneamino]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1528 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 167.4
[M+Na]+ 316.142018 174.8
[M-H]- 292.145524 175.5
[M+NH4]+ 311.186623 183.7
[M+K]+ 332.115958 175.8
[M+H-H2O]+ 276.150060 159.7
[M+HCOO]- 338.151001 192.4
[M+CH3COO]- 352.166651 179.4
[M+Na-2H]- 314.127466 176.8
[M]+ 293.15225142 169.8
[M]- 293.15334858 169.8
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.