CID 16205319

76643-49-7

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CC(C)CC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)N)CC(C)C)O)N
InChI
InChI=1S/C22H26N2O4/c1-9(2)5-11-7-13(23)15-17(19(11)25)22(28)18-16(21(15)27)14(24)8-12(20(18)26)6-10(3)4/h7-10,25-26H,5-6,23-24H2,1-4H3
InChIKey
CZJZMSRDRZJNSB-UHFFFAOYSA-N
Compound name
4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

382.18927 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.196546 194.0
[M+Na]+ 405.178488 202.1
[M-H]- 381.181994 196.5
[M+NH4]+ 400.223093 206.5
[M+K]+ 421.152428 197.5
[M+H-H2O]+ 365.186530 187.3
[M+HCOO]- 427.187471 208.5
[M+CH3COO]- 441.203121 231.3
[M+Na-2H]- 403.163936 190.1
[M]+ 382.18872142 194.2
[M]- 382.18981858 194.2
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