CID 132562

Zeneca zd8731

Structural Information

Molecular Formula
C25H21N5O
SMILES
CCC1=NC2=CC=CC=C2C(=C1)OCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)
InChIKey
FSJCYXPMWQPVOS-UHFFFAOYSA-N
Compound name
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

231
Patents

407.17462 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18190 200.7
[M+Na]+ 430.16384 209.9
[M-H]- 406.16734 206.9
[M+NH4]+ 425.20844 205.6
[M+K]+ 446.13778 199.7
[M+H-H2O]+ 390.17188 186.6
[M+HCOO]- 452.17282 216.8
[M+CH3COO]- 466.18847 208.4
[M+Na-2H]- 428.14929 204.8
[M]+ 407.17407 201.9
[M]- 407.17517 201.9
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.