CID 459276

Mls001203710

Structural Information

Molecular Formula
C18H17NO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N(CCO)CCO
InChI
InChI=1S/C18H17NO4/c20-10-8-19(9-11-21)15-7-3-6-14-16(15)18(23)13-5-2-1-4-12(13)17(14)22/h1-7,20-21H,8-11H2
InChIKey
JEWJHTTZILLULZ-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxyethyl)amino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

311.11575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 168.7
[M+Na]+ 334.10497 175.9
[M-H]- 310.10847 172.6
[M+NH4]+ 329.14957 184.4
[M+K]+ 350.07891 171.8
[M+H-H2O]+ 294.11301 161.2
[M+HCOO]- 356.11395 187.8
[M+CH3COO]- 370.12960 209.0
[M+Na-2H]- 332.09042 173.7
[M]+ 311.11520 170.5
[M]- 311.11630 170.5
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

No patent data available for this compound.