CID 481458

3-[(3-phenoxyphenyl)sulfanylmethyl]furo[2,3-b]pyridine-4,6-diamine

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)SCC3=COC4=C3C(=CC(=N4)N)N
InChI
InChI=1S/C20H17N3O2S/c21-17-10-18(22)23-20-19(17)13(11-24-20)12-26-16-8-4-7-15(9-16)25-14-5-2-1-3-6-14/h1-11H,12H2,(H4,21,22,23)
InChIKey
ALKGAIMFXVXCHC-UHFFFAOYSA-N
Compound name
3-[(3-phenoxyphenyl)sulfanylmethyl]furo[2,3-b]pyridine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10416 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 182.9
[M+Na]+ 386.09338 193.2
[M-H]- 362.09688 193.2
[M+NH4]+ 381.13798 195.4
[M+K]+ 402.06732 187.2
[M+H-H2O]+ 346.10142 174.3
[M+HCOO]- 408.10236 202.9
[M+CH3COO]- 422.11801 194.3
[M+Na-2H]- 384.07883 186.3
[M]+ 363.10361 187.2
[M]- 363.10471 187.2
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.