CID 82972

Basic blue 47

Structural Information

Molecular Formula
C23H21N3O2
SMILES
CN(C)CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H21N3O2/c1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27/h3-12,25H,13,24H2,1-2H3
InChIKey
IVFRHOQHKQWEHJ-UHFFFAOYSA-N
Compound name
1-amino-4-[4-[(dimethylamino)methyl]anilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1207
Patents

371.1634 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17068 190.0
[M+Na]+ 394.15262 204.4
[M+NH4]+ 389.19722 198.4
[M+K]+ 410.12656 195.5
[M-H]- 370.15612 197.7
[M+Na-2H]- 392.13807 197.5
[M]+ 371.16285 194.2
[M]- 371.16395 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe