CID 166087

Einecs 274-084-4

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
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 188.3
[M+Na]+ 394.15262 195.7
[M-H]- 370.15612 197.6
[M+NH4]+ 389.19722 202.0
[M+K]+ 410.12656 190.5
[M+H-H2O]+ 354.16066 178.4
[M+HCOO]- 416.16160 210.8
[M+CH3COO]- 430.17725 198.5
[M+Na-2H]- 392.13807 192.3
[M]+ 371.16285 188.4
[M]- 371.16395 188.4
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