CID 16205904

93964-12-6

Structural Information

Molecular Formula
C22H26N2O4
SMILES
COCCCNC1=C2C(=C(C=C1)NCCCOC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C22H26N2O4/c1-27-13-5-11-23-17-9-10-18(24-12-6-14-28-2)20-19(17)21(25)15-7-3-4-8-16(15)22(20)26/h3-4,7-10,23-24H,5-6,11-14H2,1-2H3
InChIKey
BUXFGXZGTHYNIB-UHFFFAOYSA-N
Compound name
1,4-bis(3-methoxypropylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

382.18927 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.196546 189.6
[M+Na]+ 405.178488 195.7
[M-H]- 381.181994 194.2
[M+NH4]+ 400.223093 203.0
[M+K]+ 421.152428 191.2
[M+H-H2O]+ 365.186530 180.6
[M+HCOO]- 427.187471 210.8
[M+CH3COO]- 441.203121 228.8
[M+Na-2H]- 403.163936 194.0
[M]+ 382.18872142 194.8
[M]- 382.18981858 194.8
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