CID 10452674

Chembl95799

Structural Information

Molecular Formula
C23H23N5O
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC3=NNN=N3)C4=CC=CC=C4
InChI
InChI=1S/C23H23N5O/c1-4-10-18(11-5-1)20-16-21(19-12-6-2-7-13-19)24-23(17-20)29-15-9-3-8-14-22-25-27-28-26-22/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26,27,28)
InChIKey
MIZPMMYJEGMAHP-UHFFFAOYSA-N
Compound name
2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

385.19025 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.197526 193.0
[M+Na]+ 408.179468 199.1
[M-H]- 384.182974 197.1
[M+NH4]+ 403.224073 197.4
[M+K]+ 424.153408 190.2
[M+H-H2O]+ 368.187510 178.8
[M+HCOO]- 430.188451 209.0
[M+CH3COO]- 444.204101 200.1
[M+Na-2H]- 406.164916 196.1
[M]+ 385.18970142 192.8
[M]- 385.19079858 192.8
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.