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]+ 314.222696 178.5
[M+Na]+ 336.204638 183.7
[M-H]- 312.208144 183.1
[M+NH4]+ 331.249243 190.4
[M+K]+ 352.178578 178.6
[M+H-H2O]+ 296.212680 167.2
[M+HCOO]- 358.213621 195.0
[M+CH3COO]- 372.229271 187.6
[M+Na-2H]- 334.190086 178.0
[M]+ 313.21487142 177.1
[M]- 313.21596858 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.