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]+ 327.14516 178.2
[M+Na]+ 349.12710 188.5
[M-H]- 325.13060 184.6
[M+NH4]+ 344.17170 190.7
[M+K]+ 365.10104 184.8
[M+H-H2O]+ 309.13514 169.2
[M+HCOO]- 371.13608 200.5
[M+CH3COO]- 385.15173 214.5
[M+Na-2H]- 347.11255 180.9
[M]+ 326.13733 182.6
[M]- 326.13843 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.