CID 3022338

93778-48-4

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CNC1=C2C(C3=C(C=CC(=C3C(C2=C(C=C1)O)O)N)O)O
InChI
InChI=1S/C15H16N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,14-15,17-21H,16H2,1H3
InChIKey
VADNTLNWICTOOR-UHFFFAOYSA-N
Compound name
4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 162.6
[M+Na]+ 311.10022 171.6
[M-H]- 287.10372 163.6
[M+NH4]+ 306.14482 177.8
[M+K]+ 327.07416 166.7
[M+H-H2O]+ 271.10826 156.9
[M+HCOO]- 333.10920 179.2
[M+CH3COO]- 347.12485 203.4
[M+Na-2H]- 309.08567 166.5
[M]+ 288.11045 160.0
[M]- 288.11155 160.0
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

No patent data available for this compound.