CID 5326956

1-(4-(4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

Structural Information

Molecular Formula
C27H19F4N5O3
SMILES
COC1=CC=C(C=C1)C2=C(C3=C(N=CN=C3O2)N)C4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F
InChI
InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)
InChIKey
FGZIONRFHVNRJB-UHFFFAOYSA-N
Compound name
1-[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

537.1424 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.14968 227.7
[M+Na]+ 560.13162 237.0
[M-H]- 536.13512 235.7
[M+NH4]+ 555.17622 230.4
[M+K]+ 576.10556 230.3
[M+H-H2O]+ 520.13966 212.4
[M+HCOO]- 582.14060 244.1
[M+CH3COO]- 596.15625 234.3
[M+Na-2H]- 558.11707 228.9
[M]+ 537.14185 226.8
[M]- 537.14295 226.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.