CID 6454445

62649-65-4

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC(C)NC1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H16N2O2/c1-9(2)19-13-8-7-12(18)14-15(13)17(21)11-6-4-3-5-10(11)16(14)20/h3-9,19H,18H2,1-2H3
InChIKey
XESMZIWBJZMRDK-UHFFFAOYSA-N
Compound name
1-amino-4-(propan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

280.1212 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 162.6
[M+Na]+ 303.110418 171.3
[M-H]- 279.113924 168.0
[M+NH4]+ 298.155023 180.3
[M+K]+ 319.084358 166.6
[M+H-H2O]+ 263.118460 155.6
[M+HCOO]- 325.119401 183.7
[M+CH3COO]- 339.135051 209.8
[M+Na-2H]- 301.095866 167.1
[M]+ 280.12065142 161.9
[M]- 280.12174858 161.9
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