CID 16205335

79817-67-7

Structural Information

Molecular Formula
C28H30N2O5
SMILES
CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OCCOCCOC)C
InChI
InChI=1S/C28H30N2O5/c1-16-13-17(2)26(18(3)14-16)30-21-15-22(35-12-11-34-10-9-33-4)25(29)24-23(21)27(31)19-7-5-6-8-20(19)28(24)32/h5-8,13-15,30H,9-12,29H2,1-4H3
InChIKey
LAKNHEAPHMBKTO-UHFFFAOYSA-N
Compound name
1-amino-2-[2-(2-methoxyethoxy)ethoxy]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.21548 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.222756 218.2
[M+Na]+ 497.204698 225.7
[M-H]- 473.208204 226.1
[M+NH4]+ 492.249303 227.7
[M+K]+ 513.178638 221.0
[M+H-H2O]+ 457.212740 207.3
[M+HCOO]- 519.213681 237.5
[M+CH3COO]- 533.229331 249.7
[M+Na-2H]- 495.190146 217.9
[M]+ 474.21493142 224.6
[M]- 474.21602858 224.6
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.