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 200.7
[M+Na]+ 439.18664 206.9
[M-H]- 415.19014 209.7
[M+NH4]+ 434.23124 212.3
[M+K]+ 455.16058 196.2
[M+H-H2O]+ 399.19468 193.2
[M+HCOO]- 461.19562 221.2
[M+CH3COO]- 475.21127 232.7
[M+Na-2H]- 437.17209 208.3
[M]+ 416.19687 201.1
[M]- 416.19797 201.1
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