CID 334462

47645-63-6

Structural Information

Molecular Formula
C22H26N2O6
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCOCCO)NCCOCCO
InChI
InChI=1S/C22H26N2O6/c25-9-13-29-11-7-23-17-5-6-18(24-8-12-30-14-10-26)20-19(17)21(27)15-3-1-2-4-16(15)22(20)28/h1-6,23-26H,7-14H2
InChIKey
DIDIQVVJJPBEGG-UHFFFAOYSA-N
Compound name
1,4-bis[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

414.17908 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18636 192.8
[M+Na]+ 437.16830 197.4
[M-H]- 413.17180 194.5
[M+NH4]+ 432.21290 203.2
[M+K]+ 453.14224 193.1
[M+H-H2O]+ 397.17634 184.0
[M+HCOO]- 459.17728 211.2
[M+CH3COO]- 473.19293 229.0
[M+Na-2H]- 435.15375 197.1
[M]+ 414.17853 197.3
[M]- 414.17963 197.3
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