CID 84896

15403-56-2

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC(C)NC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H18N2O2/c1-10(2)20-14-9-8-13(19-3)15-16(14)18(22)12-7-5-4-6-11(12)17(15)21/h4-10,19-20H,1-3H3
InChIKey
VPUMFVBIIVCLPO-UHFFFAOYSA-N
Compound name
1-(methylamino)-4-(propan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

294.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 166.5
[M+Na]+ 317.126058 174.6
[M-H]- 293.129564 172.1
[M+NH4]+ 312.170663 183.8
[M+K]+ 333.099998 170.0
[M+H-H2O]+ 277.134100 159.1
[M+HCOO]- 339.135041 187.8
[M+CH3COO]- 353.150691 213.3
[M+Na-2H]- 315.111506 171.5
[M]+ 294.13629142 166.9
[M]- 294.13738858 166.9
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