CID 458832

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

Structural Information

Molecular Formula
C30H26N2O2
SMILES
C1=CC=C(C=C1)CCNC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NCCC5=CC=CC=C5
InChI
InChI=1S/C30H26N2O2/c33-29-24-14-8-16-26(32-20-18-22-11-5-2-6-12-22)28(24)30(34)23-13-7-15-25(27(23)29)31-19-17-21-9-3-1-4-10-21/h1-16,31-32H,17-20H2
InChIKey
RYRKKXQTECNKBL-UHFFFAOYSA-N
Compound name
1,5-bis(2-phenylethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

446.19943 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20671 208.8
[M+Na]+ 469.18865 213.9
[M-H]- 445.19215 218.8
[M+NH4]+ 464.23325 218.1
[M+K]+ 485.16259 205.6
[M+H-H2O]+ 429.19669 196.4
[M+HCOO]- 491.19763 228.9
[M+CH3COO]- 505.21328 216.5
[M+Na-2H]- 467.17410 213.2
[M]+ 446.19888 208.0
[M]- 446.19998 208.0
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