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

1
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

literature stripe

Patent stripe

patents stripe