CID 464180

4-(2,6-dinitrophenylamino)phenyl-.alpha.-d-glucopyranoside

Structural Information

Molecular Formula
C18H19N3O10
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C18H19N3O10/c22-8-13-15(23)16(24)17(25)18(31-13)30-10-6-4-9(5-7-10)19-14-11(20(26)27)2-1-3-12(14)21(28)29/h1-7,13,15-19,22-25H,8H2
InChIKey
DREOXUBCOVVOLO-UHFFFAOYSA-N
Compound name
2-[4-(2,6-dinitroanilino)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.10706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11434 192.9
[M+Na]+ 460.09628 193.0
[M-H]- 436.09978 197.6
[M+NH4]+ 455.14088 194.9
[M+K]+ 476.07022 183.4
[M+H-H2O]+ 420.10432 191.4
[M+HCOO]- 482.10526 208.5
[M+CH3COO]- 496.12091 212.2
[M+Na-2H]- 458.08173 198.6
[M]+ 437.10651 187.4
[M]- 437.10761 187.4
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.