CID 69304247

Cscdcoqsiwxpsz-uhfffaoysa-n

Structural Information

Molecular Formula
C22H32N2O6
SMILES
C1=CC(=C(C=C1CC(NCCCCCCNC(CC2=CC(=C(C=C2)O)O)O)O)O)O
InChI
InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)13-21(29)23-9-3-1-2-4-10-24-22(30)14-16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2
InChIKey
XZJAMJHQDJRFFD-UHFFFAOYSA-N
Compound name
4-[2-[6-[[2-(3,4-dihydroxyphenyl)-1-hydroxyethyl]amino]hexylamino]-2-hydroxyethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

420.22604 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.233316 199.6
[M+Na]+ 443.215258 200.2
[M-H]- 419.218764 197.5
[M+NH4]+ 438.259863 204.7
[M+K]+ 459.189198 195.7
[M+H-H2O]+ 403.223300 190.9
[M+HCOO]- 465.224241 213.2
[M+CH3COO]- 479.239891 222.8
[M+Na-2H]- 441.200706 196.9
[M]+ 420.22549142 197.9
[M]- 420.22658858 197.9
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

patents stripe