CID 89199

Anthraquinone, 1,4-bis((1,3-dimethylbutyl)amino)-

Structural Information

Molecular Formula
C26H34N2O2
SMILES
CC(C)CC(C)NC1=C2C(=C(C=C1)NC(C)CC(C)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C26H34N2O2/c1-15(2)13-17(5)27-21-11-12-22(28-18(6)14-16(3)4)24-23(21)25(29)19-9-7-8-10-20(19)26(24)30/h7-12,15-18,27-28H,13-14H2,1-6H3
InChIKey
LOIONYUPSGYWKG-UHFFFAOYSA-N
Compound name
1,4-bis(4-methylpentan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.26202 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.26930 203.3
[M+Na]+ 429.25124 206.7
[M-H]- 405.25474 207.3
[M+NH4]+ 424.29584 215.5
[M+K]+ 445.22518 202.4
[M+H-H2O]+ 389.25928 195.0
[M+HCOO]- 451.26022 218.5
[M+CH3COO]- 465.27587 239.8
[M+Na-2H]- 427.23669 200.5
[M]+ 406.26147 204.5
[M]- 406.26257 204.5
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