CID 29284

18833-65-3

Structural Information

Molecular Formula
C22H32N2O4
SMILES
CN(C)CCCOC1=C2CCCCCC2=NC3=C(C(=C(C=C31)OC)OC)OC
InChI
InChI=1S/C22H32N2O4/c1-24(2)12-9-13-28-20-15-10-7-6-8-11-17(15)23-19-16(20)14-18(25-3)21(26-4)22(19)27-5/h14H,6-13H2,1-5H3
InChIKey
XTDTUDNZWSWKKV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[(2,3,4-trimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.2362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24348 192.6
[M+Na]+ 411.22542 197.2
[M-H]- 387.22892 198.4
[M+NH4]+ 406.27002 205.0
[M+K]+ 427.19936 200.0
[M+H-H2O]+ 371.23346 184.4
[M+HCOO]- 433.23440 209.9
[M+CH3COO]- 447.25005 229.8
[M+Na-2H]- 409.21087 194.5
[M]+ 388.23565 196.9
[M]- 388.23675 196.9
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.