CID 18925065

183322-38-5

Structural Information

Molecular Formula
C19H17N3O3
SMILES
COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)O
InChI
InChI=1S/C19H17N3O3/c1-3-13-5-4-6-14(9-13)22-19-15-10-17(23)18(25-8-7-24-2)11-16(15)20-12-21-19/h1,4-6,9-12,23H,7-8H2,2H3,(H,20,21,22)
InChIKey
PKUSDEYOSFKCTN-UHFFFAOYSA-N
Compound name
4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

335.12698 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13426 182.4
[M+Na]+ 358.11620 196.4
[M+NH4]+ 353.16080 185.5
[M+K]+ 374.09014 185.5
[M-H]- 334.11970 177.7
[M+Na-2H]- 356.10165 186.2
[M]+ 335.12643 182.2
[M]- 335.12753 182.2
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

patents stripe