CID 6482469

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

Structural Information

Molecular Formula
C15H11Cl3N4O
SMILES
C/C(=C/C1=COC2=NC(=NC(=C12)N)N)/C3=CC(=C(C(=C3)Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3N4O/c1-6(7-3-9(16)12(18)10(17)4-7)2-8-5-23-14-11(8)13(19)21-15(20)22-14/h2-5H,1H3,(H4,19,20,21,22)/b6-2-
InChIKey
USWKUYSRMHKJDD-KXFIGUGUSA-N
Compound name
5-[(Z)-2-(3,4,5-trichlorophenyl)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

367.99985 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.00713 185.2
[M+Na]+ 390.98907 198.0
[M-H]- 366.99257 189.3
[M+NH4]+ 386.03367 197.6
[M+K]+ 406.96301 190.7
[M+H-H2O]+ 350.99711 178.2
[M+HCOO]- 412.99805 192.1
[M+CH3COO]- 427.01370 195.3
[M+Na-2H]- 388.97452 185.0
[M]+ 367.99930 189.9
[M]- 368.00040 189.9
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.