CID 11181296

231278-84-5

Structural Information

Molecular Formula
C26H17ClFN3O3
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)C=O)Cl
InChI
InChI=1S/C26H17ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-13,15H,14H2,(H,29,30,31)
InChIKey
XQPZOUAAXRXPAM-UHFFFAOYSA-N
Compound name
5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

264
Patents

473.09424 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.10152 213.9
[M+Na]+ 496.08346 225.0
[M-H]- 472.08696 225.0
[M+NH4]+ 491.12806 220.5
[M+K]+ 512.05740 217.2
[M+H-H2O]+ 456.09150 200.7
[M+HCOO]- 518.09244 230.3
[M+CH3COO]- 532.10809 223.1
[M+Na-2H]- 494.06891 216.2
[M]+ 473.09369 220.6
[M]- 473.09479 220.6
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.