CID 475758

4-chloro-5-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidin-2-amine

Structural Information

Molecular Formula
C15H14ClN3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C2=COC3=C2C(=NC(=N3)N)Cl
InChI
InChI=1S/C15H14ClN3O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)8-6-23-14-11(8)13(16)18-15(17)19-14/h4-6H,1-3H3,(H2,17,18,19)
InChIKey
YTNIETCSQATFNR-UHFFFAOYSA-N
Compound name
4-chloro-5-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0673 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07458 174.8
[M+Na]+ 358.05652 188.1
[M-H]- 334.06002 181.9
[M+NH4]+ 353.10112 188.6
[M+K]+ 374.03046 184.5
[M+H-H2O]+ 318.06456 166.7
[M+HCOO]- 380.06550 193.6
[M+CH3COO]- 394.08115 211.3
[M+Na-2H]- 356.04197 178.8
[M]+ 335.06675 185.3
[M]- 335.06785 185.3
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.