CID 56843506

73287-71-5

Structural Information

Molecular Formula
C25H26N3O3
SMILES
C[N+](C)(C)CCOC1=C(C2=C(C(=C1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)N
InChI
InChI=1S/C25H25N3O3/c1-28(2,3)13-14-31-20-15-19(27-16-9-5-4-6-10-16)21-22(23(20)26)25(30)18-12-8-7-11-17(18)24(21)29/h4-12,15H,13-14H2,1-3H3,(H2-,26,27,29,30)/p+1
InChIKey
FWMBENGCTHNIOI-UHFFFAOYSA-O
Compound name
2-(1-amino-4-anilino-9,10-dioxoanthracen-2-yl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

416.19742 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20470 199.2
[M+Na]+ 439.18664 214.9
[M+NH4]+ 434.23124 208.0
[M+K]+ 455.16058 206.8
[M-H]- 415.19014 207.9
[M+Na-2H]- 437.17209 207.4
[M]+ 416.19687 204.4
[M]- 416.19797 204.4
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