CID 85130

Einecs 239-935-6

Structural Information

Molecular Formula
C30H26N2O2
SMILES
C1=CC=C(C=C1)CCNC2=C3C(=C(C=C2)NCCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C30H26N2O2/c33-29-23-13-7-8-14-24(23)30(34)28-26(32-20-18-22-11-5-2-6-12-22)16-15-25(27(28)29)31-19-17-21-9-3-1-4-10-21/h1-16,31-32H,17-20H2
InChIKey
AOJCELGWFFJVFH-UHFFFAOYSA-N
Compound name
1,4-bis(2-phenylethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

446.19943 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.206706 208.8
[M+Na]+ 469.188648 213.9
[M-H]- 445.192154 218.8
[M+NH4]+ 464.233253 218.1
[M+K]+ 485.162588 205.6
[M+H-H2O]+ 429.196690 196.4
[M+HCOO]- 491.197631 228.9
[M+CH3COO]- 505.213281 216.5
[M+Na-2H]- 467.174096 213.2
[M]+ 446.19888142 208.0
[M]- 446.19997858 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