CID 6540277

Hql-79

Structural Information

Molecular Formula
C22H27N5O
SMILES
C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC4=NNN=N4
InChI
InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
InChIKey
TZQGXAHOROZEKN-UHFFFAOYSA-N
Compound name
4-benzhydryloxy-1-[3-(2H-tetrazol-5-yl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

113
Patents

377.22156 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 193.3
[M+Na]+ 400.21078 206.5
[M+NH4]+ 395.25538 199.1
[M+K]+ 416.18472 200.3
[M-H]- 376.21428 197.8
[M+Na-2H]- 398.19623 202.6
[M]+ 377.22101 196.3
[M]- 377.22211 196.3
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