CID 55483

Dopexamine

Structural Information

Molecular Formula
C22H32N2O2
SMILES
C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2
InChIKey
RYBJORHCUPVNMB-UHFFFAOYSA-N
Compound name
4-[2-[6-(2-phenylethylamino)hexylamino]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

375
References

4557
Patents

356.24637 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 188.2
[M+Na]+ 379.23559 190.3
[M-H]- 355.23909 190.7
[M+NH4]+ 374.28019 198.8
[M+K]+ 395.20953 184.0
[M+H-H2O]+ 339.24363 179.0
[M+HCOO]- 401.24457 209.3
[M+CH3COO]- 415.26022 217.5
[M+Na-2H]- 377.22104 190.6
[M]+ 356.24582 188.5
[M]- 356.24692 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe