CID 155543699

Chembl4525765

Structural Information

Molecular Formula
C26H20ClFN4O3
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CNO)Cl
InChI
InChI=1S/C26H20ClFN4O3/c27-22-12-19(5-8-25(22)34-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(35-24)13-31-33/h1-12,15,31,33H,13-14H2,(H,29,30,32)
InChIKey
MRYVFMPREUWXSU-UHFFFAOYSA-N
Compound name
N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.1208 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.12808 214.8
[M+Na]+ 513.11002 224.3
[M-H]- 489.11352 224.7
[M+NH4]+ 508.15462 219.9
[M+K]+ 529.08396 216.5
[M+H-H2O]+ 473.11806 201.9
[M+HCOO]- 535.11900 230.8
[M+CH3COO]- 549.13465 223.0
[M+Na-2H]- 511.09547 218.1
[M]+ 490.12025 220.2
[M]- 490.12135 220.2
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.