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
2
Annotation Hits

0
References

9
Patents

354.15796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.165236 180.6
[M+Na]+ 377.147178 187.6
[M-H]- 353.150684 185.6
[M+NH4]+ 372.191783 195.2
[M+K]+ 393.121118 183.5
[M+H-H2O]+ 337.155220 172.0
[M+HCOO]- 399.156161 202.5
[M+CH3COO]- 413.171811 222.9
[M+Na-2H]- 375.132626 186.0
[M]+ 354.15741142 185.1
[M]- 354.15850858 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