CID 384121

99788-75-7

Structural Information

Molecular Formula
C20H22N2O6
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCC(CO)O)NCC(CO)O
InChI
InChI=1S/C20H22N2O6/c23-9-11(25)7-21-15-5-6-16(22-8-12(26)10-24)18-17(15)19(27)13-3-1-2-4-14(13)20(18)28/h1-6,11-12,21-26H,7-10H2
InChIKey
AQNZDXHBYRTSHA-UHFFFAOYSA-N
Compound name
1,4-bis(2,3-dihydroxypropylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1643
Patents

386.1478 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15508 185.0
[M+Na]+ 409.13702 189.1
[M-H]- 385.14052 184.6
[M+NH4]+ 404.18162 195.0
[M+K]+ 425.11096 185.2
[M+H-H2O]+ 369.14506 177.7
[M+HCOO]- 431.14600 199.1
[M+CH3COO]- 445.16165 221.3
[M+Na-2H]- 407.12247 187.1
[M]+ 386.14725 184.2
[M]- 386.14835 184.2
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