CID 3025891

1,2-dihydro-1,2-dihydroxy-6-aminochrysene

Structural Information

Molecular Formula
C18H15NO2
SMILES
C1=CC=C2C(=C1)C3=C(C=C2N)C4=C(C=C3)C(C(C=C4)O)O
InChI
InChI=1S/C18H15NO2/c19-16-9-15-11(10-3-1-2-4-13(10)16)5-6-14-12(15)7-8-17(20)18(14)21/h1-9,17-18,20-21H,19H2
InChIKey
BDQUGJCOXDENQA-UHFFFAOYSA-N
Compound name
6-amino-1,2-dihydrochrysene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

277.1103 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 159.9
[M+Na]+ 300.09952 170.1
[M-H]- 276.10302 164.1
[M+NH4]+ 295.14412 177.8
[M+K]+ 316.07346 163.4
[M+H-H2O]+ 260.10756 152.9
[M+HCOO]- 322.10850 178.3
[M+CH3COO]- 336.12415 171.6
[M+Na-2H]- 298.08497 167.8
[M]+ 277.10975 158.8
[M]- 277.11085 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.