CID 180259

124429-03-4

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCCCOC1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C20H22N2O2/c1-2-3-13-23-17-10-8-16(9-11-17)12-14-24-20-18-6-4-5-7-19(18)21-15-22-20/h4-11,15H,2-3,12-14H2,1H3
InChIKey
KCNCAHUJDPRDKL-UHFFFAOYSA-N
Compound name
4-[2-(4-butoxyphenyl)ethoxy]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.16812 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.6
[M+Na]+ 345.15734 185.5
[M-H]- 321.16084 182.6
[M+NH4]+ 340.20194 190.7
[M+K]+ 361.13128 180.1
[M+H-H2O]+ 305.16538 167.6
[M+HCOO]- 367.16632 198.2
[M+CH3COO]- 381.18197 209.2
[M+Na-2H]- 343.14279 185.0
[M]+ 322.16757 182.7
[M]- 322.16867 182.7
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