CID 458834

15939-84-1

Structural Information

Molecular Formula
C18H18N2O4
SMILES
C1=CC2=C(C(=C1)NCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCO
InChI
InChI=1S/C18H18N2O4/c21-9-7-19-13-5-1-3-11-15(13)18(24)12-4-2-6-14(20-8-10-22)16(12)17(11)23/h1-6,19-22H,7-10H2
InChIKey
NHCOLOILTUTOLA-UHFFFAOYSA-N
Compound name
1,5-bis(2-hydroxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

326.12665 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 171.1
[M+Na]+ 349.11587 178.2
[M-H]- 325.11937 173.8
[M+NH4]+ 344.16047 185.5
[M+K]+ 365.08981 173.0
[M+H-H2O]+ 309.12391 163.7
[M+HCOO]- 371.12485 190.7
[M+CH3COO]- 385.14050 212.6
[M+Na-2H]- 347.10132 176.9
[M]+ 326.12610 171.5
[M]- 326.12720 171.5
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