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]+ 286.19138 168.2
[M+Na]+ 308.17332 174.3
[M-H]- 284.17682 173.6
[M+NH4]+ 303.21792 183.0
[M+K]+ 324.14726 170.2
[M+H-H2O]+ 268.18136 157.8
[M+HCOO]- 330.18230 187.9
[M+CH3COO]- 344.19795 178.8
[M+Na-2H]- 306.15877 167.8
[M]+ 285.18355 168.2
[M]- 285.18465 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.