CID 9578100

82263-33-0

Structural Information

Molecular Formula
C19H26N2O3
SMILES
COC1=C(C=C2C3C/C(=N\O)/C4CCCCC4N3CCC2=C1)OC
InChI
InChI=1S/C19H26N2O3/c1-23-18-9-12-7-8-21-16-6-4-3-5-13(16)15(20-22)11-17(21)14(12)10-19(18)24-2/h9-10,13,16-17,22H,3-8,11H2,1-2H3/b20-15+
InChIKey
CADPBCPVJBOUEG-HMMYKYKNSA-N
Compound name
(NE)-N-(9,10-dimethoxy-1,2,3,4,4a,6,7,11b,12,13a-decahydroisoquinolino[2,1-a]quinolin-13-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

330.19434 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 176.2
[M+Na]+ 353.18356 180.6
[M-H]- 329.18706 179.1
[M+NH4]+ 348.22816 191.3
[M+K]+ 369.15750 176.4
[M+H-H2O]+ 313.19160 167.0
[M+HCOO]- 375.19254 188.0
[M+CH3COO]- 389.20819 184.6
[M+Na-2H]- 351.16901 179.5
[M]+ 330.19379 172.1
[M]- 330.19489 172.1
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.