CID 162345298

Ns00133460

Structural Information

Molecular Formula
C22H23N3O5
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3O)C#C)OCCOC
InChI
InChI=1S/C22H23N3O5/c1-4-15-6-5-7-17(21(15)26)25-22-16-12-19(29-10-8-27-2)20(30-11-9-28-3)13-18(16)23-14-24-22/h1,5-7,12-14,26H,8-11H2,2-3H3,(H,23,24,25)
InChIKey
LVHVWQPPXKXBHI-UHFFFAOYSA-N
Compound name
2-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]-6-ethynylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16376 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.171036 195.3
[M+Na]+ 432.152978 204.1
[M-H]- 408.156484 195.6
[M+NH4]+ 427.197583 201.5
[M+K]+ 448.126918 197.5
[M+H-H2O]+ 392.161020 178.4
[M+HCOO]- 454.161961 208.2
[M+CH3COO]- 468.177611 229.6
[M+Na-2H]- 430.138426 197.4
[M]+ 409.16321142 195.5
[M]- 409.16430858 195.5
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.