CID 122197285

Chembl3706535

Structural Information

Molecular Formula
C26H18ClFN4O3
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CN=O)Cl
InChI
InChI=1S/C26H18ClFN4O3/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/h1-12,15H,13-14H2,(H,29,30,32)
InChIKey
GZUMUKHYSKSWHS-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(nitrosomethyl)furan-2-yl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.10513 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.11241 218.3
[M+Na]+ 511.09435 236.6
[M+NH4]+ 506.13895 225.0
[M+K]+ 527.06829 227.7
[M-H]- 487.09785 227.7
[M+Na-2H]- 509.07980 229.3
[M]+ 488.10458 224.1
[M]- 488.10568 224.1
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.