CID 74963268

882420-22-6

Structural Information

Molecular Formula
C22H23N3O5
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)C#C)OCCOC
InChI
InChI=1S/C22H23N3O5/c1-4-15-11-16(5-6-19(15)26)25-22-17-12-20(29-9-7-27-2)21(30-10-8-28-3)13-18(17)23-14-24-22/h1,5-6,11-14,26H,7-10H2,2-3H3,(H,23,24,25)
InChIKey
NEEHJGWAKAIBAR-UHFFFAOYSA-N
Compound name
4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]-2-ethynylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

409.16376 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17104 195.3
[M+Na]+ 432.15298 204.1
[M-H]- 408.15648 195.6
[M+NH4]+ 427.19758 201.5
[M+K]+ 448.12692 197.5
[M+H-H2O]+ 392.16102 178.4
[M+HCOO]- 454.16196 208.2
[M+CH3COO]- 468.17761 229.6
[M+Na-2H]- 430.13843 197.4
[M]+ 409.16321 195.5
[M]- 409.16431 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

literature stripe

Patent stripe

patents stripe