CID 9887844

Zd-6888 hydrochloride

Structural Information

Molecular Formula
C25H25N5O
SMILES
CCC1=CC(=C2CCCCC2=N1)OCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H25N5O/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/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,27,28,29,30)
InChIKey
AWZMTWHHQXOWQR-UHFFFAOYSA-N
Compound name
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

501
Patents

411.2059 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21318 203.8
[M+Na]+ 434.19512 220.6
[M+NH4]+ 429.23972 210.5
[M+K]+ 450.16906 212.7
[M-H]- 410.19862 210.1
[M+Na-2H]- 432.18057 213.8
[M]+ 411.20535 208.1
[M]- 411.20645 208.1
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