CID 6482462

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

Structural Information

Molecular Formula
C15H14Cl2N4O
SMILES
CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H14Cl2N4O/c1-7(8-2-3-10(16)11(17)5-8)4-9-6-22-14-12(9)13(18)20-15(19)21-14/h2-3,5-7H,4H2,1H3,(H4,18,19,20,21)
InChIKey
IQBVBQBFQJRIAV-UHFFFAOYSA-N
Compound name
5-[2-(3,4-dichlorophenyl)propyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.05447 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06175 178.4
[M+Na]+ 359.04369 190.4
[M-H]- 335.04719 183.6
[M+NH4]+ 354.08829 191.8
[M+K]+ 375.01763 183.8
[M+H-H2O]+ 319.05173 170.7
[M+HCOO]- 381.05267 190.7
[M+CH3COO]- 395.06832 189.4
[M+Na-2H]- 357.02914 180.2
[M]+ 336.05392 183.3
[M]- 336.05502 183.3
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.