CID 203746

15090-10-5

Structural Information

Molecular Formula
C19H27N3O
SMILES
CC1CCCCN1CCOC2=CC(=NN2CC3=CC=CC=C3)C
InChI
InChI=1S/C19H27N3O/c1-16-14-19(22(20-16)15-18-9-4-3-5-10-18)23-13-12-21-11-7-6-8-17(21)2/h3-5,9-10,14,17H,6-8,11-13,15H2,1-2H3
InChIKey
QSWVXAPSGXNLFY-UHFFFAOYSA-N
Compound name
1-[2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl]-2-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 178.5
[M+Na]+ 336.20464 183.7
[M-H]- 312.20814 183.1
[M+NH4]+ 331.24924 190.4
[M+K]+ 352.17858 178.6
[M+H-H2O]+ 296.21268 167.2
[M+HCOO]- 358.21362 195.0
[M+CH3COO]- 372.22927 187.6
[M+Na-2H]- 334.19009 178.0
[M]+ 313.21487 177.1
[M]- 313.21597 177.1
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.