CID 67008

116-77-8

Structural Information

Molecular Formula
C22H18N2O2
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C(=C2)C)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H18N2O2/c1-12-7-9-14(10-8-12)24-17-11-13(2)20(23)19-18(17)21(25)15-5-3-4-6-16(15)22(19)26/h3-11,24H,23H2,1-2H3
InChIKey
BYGSHXHLDPUXIF-UHFFFAOYSA-N
Compound name
1-amino-2-methyl-4-(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.13684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.144116 181.3
[M+Na]+ 365.126058 191.0
[M-H]- 341.129564 190.1
[M+NH4]+ 360.170663 196.4
[M+K]+ 381.099998 184.5
[M+H-H2O]+ 325.134100 172.3
[M+HCOO]- 387.135041 202.7
[M+CH3COO]- 401.150691 192.4
[M+Na-2H]- 363.111506 185.2
[M]+ 342.13629142 181.0
[M]- 342.13738858 181.0
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