CID 164166

124428-38-2

Structural Information

Molecular Formula
C18H17FN2O3
SMILES
COC1=C(C=C(C=C1)CCOC2=NC=NC3=C2C=CC=C3F)OC
InChI
InChI=1S/C18H17FN2O3/c1-22-15-7-6-12(10-16(15)23-2)8-9-24-18-13-4-3-5-14(19)17(13)20-11-21-18/h3-7,10-11H,8-9H2,1-2H3
InChIKey
YIUHSNOGUCWWJD-UHFFFAOYSA-N
Compound name
4-[2-(3,4-dimethoxyphenyl)ethoxy]-8-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.1223 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12958 176.6
[M+Na]+ 351.11152 186.1
[M-H]- 327.11502 180.4
[M+NH4]+ 346.15612 188.9
[M+K]+ 367.08546 181.4
[M+H-H2O]+ 311.11956 165.2
[M+HCOO]- 373.12050 195.9
[M+CH3COO]- 387.13615 210.4
[M+Na-2H]- 349.09697 182.0
[M]+ 328.12175 181.3
[M]- 328.12285 181.3
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

patents stripe