CID 16205618

85409-60-5

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CC(C)CCNC1=C2C(=C(C=C1)NCCC(C)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C24H30N2O2/c1-15(2)11-13-25-19-9-10-20(26-14-12-16(3)4)22-21(19)23(27)17-7-5-6-8-18(17)24(22)28/h5-10,15-16,25-26H,11-14H2,1-4H3
InChIKey
SJTIMPRLGIEWAC-UHFFFAOYSA-N
Compound name
1,4-bis(3-methylbutylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23074 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.238016 194.4
[M+Na]+ 401.219958 199.3
[M-H]- 377.223464 198.7
[M+NH4]+ 396.264563 208.0
[M+K]+ 417.193898 194.1
[M+H-H2O]+ 361.228000 185.9
[M+HCOO]- 423.228941 212.4
[M+CH3COO]- 437.244591 232.1
[M+Na-2H]- 399.205406 194.9
[M]+ 378.23019142 196.1
[M]- 378.23128858 196.1
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

No patent data available for this compound.