CID 458831

1,5-bis(butylamino)anthracene-9,10-dione

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CCCCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)NCCCC
InChI
InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-7-9-15-19(17)21(25)16-10-8-12-18(20(16)22(15)26)24-14-6-4-2/h7-12,23-24H,3-6,13-14H2,1-2H3
InChIKey
YIFQQKZGMOKOQQ-UHFFFAOYSA-N
Compound name
1,5-bis(butylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

350.19943 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 184.4
[M+Na]+ 373.18865 190.9
[M-H]- 349.19215 189.0
[M+NH4]+ 368.23325 199.4
[M+K]+ 389.16259 184.9
[M+H-H2O]+ 333.19669 175.9
[M+HCOO]- 395.19763 205.2
[M+CH3COO]- 409.21328 224.4
[M+Na-2H]- 371.17410 188.4
[M]+ 350.19888 186.7
[M]- 350.19998 186.7
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.