CID 10452674

Rp-69698

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

4
Patents

385.19025 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19753 193.0
[M+Na]+ 408.17947 199.1
[M-H]- 384.18297 197.1
[M+NH4]+ 403.22407 197.4
[M+K]+ 424.15341 190.2
[M+H-H2O]+ 368.18751 178.8
[M+HCOO]- 430.18845 209.0
[M+CH3COO]- 444.20410 200.1
[M+Na-2H]- 406.16492 196.1
[M]+ 385.18970 192.8
[M]- 385.19080 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

patents stripe