CID 99206

Einecs 264-212-7

Structural Information

Molecular Formula
C20H22N2O4
SMILES
COCCNC1=C2C(=C(C=C1)NCCOC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H22N2O4/c1-25-11-9-21-15-7-8-16(22-10-12-26-2)18-17(15)19(23)13-5-3-4-6-14(13)20(18)24/h3-8,21-22H,9-12H2,1-2H3
InChIKey
ZHMICNLCSJUGKY-UHFFFAOYSA-N
Compound name
1,4-bis(2-methoxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

354.15796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 180.6
[M+Na]+ 377.14718 187.6
[M-H]- 353.15068 185.6
[M+NH4]+ 372.19178 195.2
[M+K]+ 393.12112 183.5
[M+H-H2O]+ 337.15522 172.0
[M+HCOO]- 399.15616 202.5
[M+CH3COO]- 413.17181 222.9
[M+Na-2H]- 375.13263 186.0
[M]+ 354.15741 185.1
[M]- 354.15851 185.1
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