CID 6482468

5-[(z)-2-(2,4-dimethoxyphenyl)prop-1-enyl]furo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C17H18N4O3
SMILES
C/C(=C/C1=COC2=NC(=NC(=C12)N)N)/C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C17H18N4O3/c1-9(12-5-4-11(22-2)7-13(12)23-3)6-10-8-24-16-14(10)15(18)20-17(19)21-16/h4-8H,1-3H3,(H4,18,19,20,21)/b9-6-
InChIKey
UKBSXAJJLVKXDD-TWGQIWQCSA-N
Compound name
5-[(Z)-2-(2,4-dimethoxyphenyl)prop-1-enyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.13788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.145156 178.2
[M+Na]+ 349.127098 188.5
[M-H]- 325.130604 184.6
[M+NH4]+ 344.171703 190.7
[M+K]+ 365.101038 184.8
[M+H-H2O]+ 309.135140 169.2
[M+HCOO]- 371.136081 200.5
[M+CH3COO]- 385.151731 214.5
[M+Na-2H]- 347.112546 180.9
[M]+ 326.13733142 182.6
[M]- 326.13842858 182.6
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.