CID 203745

15090-08-1

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC1=NN(C(=C1)OCCN2CCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C17H23N3O/c1-15-13-17(21-12-11-19-9-5-6-10-19)20(18-15)14-16-7-3-2-4-8-16/h2-4,7-8,13H,5-6,9-12,14H2,1H3
InChIKey
NCCUXQRTRQHCGG-UHFFFAOYSA-N
Compound name
1-benzyl-3-methyl-5-(2-pyrrolidin-1-ylethoxy)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.191376 168.2
[M+Na]+ 308.173318 174.3
[M-H]- 284.176824 173.6
[M+NH4]+ 303.217923 183.0
[M+K]+ 324.147258 170.2
[M+H-H2O]+ 268.181360 157.8
[M+HCOO]- 330.182301 187.9
[M+CH3COO]- 344.197951 178.8
[M+Na-2H]- 306.158766 167.8
[M]+ 285.18355142 168.2
[M]- 285.18464858 168.2
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.