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

68
Patents

280.1212 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 162.6
[M+Na]+ 303.11042 171.3
[M-H]- 279.11392 168.0
[M+NH4]+ 298.15502 180.3
[M+K]+ 319.08436 166.6
[M+H-H2O]+ 263.11846 155.6
[M+HCOO]- 325.11940 183.7
[M+CH3COO]- 339.13505 209.8
[M+Na-2H]- 301.09587 167.1
[M]+ 280.12065 161.9
[M]- 280.12175 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