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

23
Patents

382.18927 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 194.0
[M+Na]+ 405.17849 202.1
[M-H]- 381.18199 196.5
[M+NH4]+ 400.22309 206.5
[M+K]+ 421.15243 197.5
[M+H-H2O]+ 365.18653 187.3
[M+HCOO]- 427.18747 208.5
[M+CH3COO]- 441.20312 231.3
[M+Na-2H]- 403.16394 190.1
[M]+ 382.18872 194.2
[M]- 382.18982 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