CID 6482457

5-[2-(2-chlorophenyl)propyl]furo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H15ClN4O
SMILES
CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H15ClN4O/c1-8(10-4-2-3-5-11(10)16)6-9-7-21-14-12(9)13(17)19-15(18)20-14/h2-5,7-8H,6H2,1H3,(H4,17,18,19,20)
InChIKey
WCGLCNVNDXQIGF-UHFFFAOYSA-N
Compound name
5-[2-(2-chlorophenyl)propyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.09344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10072 170.8
[M+Na]+ 325.08266 181.8
[M-H]- 301.08616 176.6
[M+NH4]+ 320.12726 185.0
[M+K]+ 341.05660 176.2
[M+H-H2O]+ 285.09070 162.5
[M+HCOO]- 347.09164 188.5
[M+CH3COO]- 361.10729 182.5
[M+Na-2H]- 323.06811 174.4
[M]+ 302.09289 174.2
[M]- 302.09399 174.2
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.