CID 121809

29311-94-2

Structural Information

Molecular Formula
C20H20Cl2N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCC(CCl)O)NCC(CCl)O
InChI
InChI=1S/C20H20Cl2N2O4/c21-7-11(25)9-23-15-5-6-16(24-10-12(26)8-22)18-17(15)19(27)13-3-1-2-4-14(13)20(18)28/h1-6,11-12,23-26H,7-10H2
InChIKey
SYZOCKFTUCTLFQ-UHFFFAOYSA-N
Compound name
1,4-bis[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

422.08002 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08730 191.5
[M+Na]+ 445.06924 198.5
[M-H]- 421.07274 193.3
[M+NH4]+ 440.11384 203.5
[M+K]+ 461.04318 191.7
[M+H-H2O]+ 405.07728 186.5
[M+HCOO]- 467.07822 199.4
[M+CH3COO]- 481.09387 227.7
[M+Na-2H]- 443.05469 193.1
[M]+ 422.07947 195.6
[M]- 422.08057 195.6
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