CID 164154

124427-34-5

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
C1=CC=C2C(=C1)C(=NC=N2)OCCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O/c17-13-7-5-12(6-8-13)9-10-20-16-14-3-1-2-4-15(14)18-11-19-16/h1-8,11H,9-10H2
InChIKey
NGFAVBCGXZXXRT-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenyl)ethoxy]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

284.07166 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 162.8
[M+Na]+ 307.06088 172.5
[M-H]- 283.06438 167.2
[M+NH4]+ 302.10548 177.5
[M+K]+ 323.03482 165.8
[M+H-H2O]+ 267.06892 153.3
[M+HCOO]- 329.06986 179.0
[M+CH3COO]- 343.08551 174.3
[M+Na-2H]- 305.04633 171.0
[M]+ 284.07111 166.4
[M]- 284.07221 166.4
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