CID 481457

Chembl597347

Structural Information

Molecular Formula
C19H16N4O2S
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2SCC3=COC4=NC(=NC(=C34)N)N
InChI
InChI=1S/C19H16N4O2S/c20-17-16-12(10-24-18(16)23-19(21)22-17)11-26-15-9-5-4-8-14(15)25-13-6-2-1-3-7-13/h1-10H,11H2,(H4,20,21,22,23)
InChIKey
HFRGDDSRNLEAMN-UHFFFAOYSA-N
Compound name
5-[(2-phenoxyphenyl)sulfanylmethyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.0994 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10668 182.2
[M+Na]+ 387.08862 193.0
[M-H]- 363.09212 191.4
[M+NH4]+ 382.13322 193.3
[M+K]+ 403.06256 186.9
[M+H-H2O]+ 347.09666 173.1
[M+HCOO]- 409.09760 201.2
[M+CH3COO]- 423.11325 193.3
[M+Na-2H]- 385.07407 186.1
[M]+ 364.09885 186.6
[M]- 364.09995 186.6
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.