CID 9578479

Brn 1510829

Structural Information

Molecular Formula
C22H35N3O3
SMILES
CCN(CC)CCO/N=C/1\CC2C3=CC(=C(C=C3CCN2CC1C)OC)OC
InChI
InChI=1S/C22H35N3O3/c1-6-24(7-2)10-11-28-23-19-14-20-18-13-22(27-5)21(26-4)12-17(18)8-9-25(20)15-16(19)3/h12-13,16,20H,6-11,14-15H2,1-5H3/b23-19+
InChIKey
NONQVWSZBONEEG-FCDQGJHFSA-N
Compound name
2-[(E)-(9,10-dimethoxy-3-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)amino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.26785 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.27513 196.8
[M+Na]+ 412.25707 200.3
[M-H]- 388.26057 201.5
[M+NH4]+ 407.30167 209.9
[M+K]+ 428.23101 198.1
[M+H-H2O]+ 372.26511 186.7
[M+HCOO]- 434.26605 213.9
[M+CH3COO]- 448.28170 235.9
[M+Na-2H]- 410.24252 197.7
[M]+ 389.26730 200.4
[M]- 389.26840 200.4
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.