CID 111960

9,10-anthracenedione, 1-(butylamino)-4-(cyclohexylamino)-

Structural Information

Molecular Formula
C24H28N2O2
SMILES
CCCCNC1=C2C(=C(C=C1)NC3CCCCC3)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C24H28N2O2/c1-2-3-15-25-19-13-14-20(26-16-9-5-4-6-10-16)22-21(19)23(27)17-11-7-8-12-18(17)24(22)28/h7-8,11-14,16,25-26H,2-6,9-10,15H2,1H3
InChIKey
IPZINPNBFVGQNM-UHFFFAOYSA-N
Compound name
1-(butylamino)-4-(cyclohexylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.2151 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 189.4
[M+Na]+ 399.20432 193.2
[M-H]- 375.20782 196.0
[M+NH4]+ 394.24892 202.4
[M+K]+ 415.17826 186.8
[M+H-H2O]+ 359.21236 179.6
[M+HCOO]- 421.21330 206.5
[M+CH3COO]- 435.22895 227.5
[M+Na-2H]- 397.18977 191.9
[M]+ 376.21455 185.4
[M]- 376.21565 185.4
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