CID 203747

Brn 0832891

Structural Information

Molecular Formula
C17H24N4O
SMILES
CC1=NN(C(=C1)OCCN2CCNCC2)CC3=CC=CC=C3
InChI
InChI=1S/C17H24N4O/c1-15-13-17(22-12-11-20-9-7-18-8-10-20)21(19-15)14-16-5-3-2-4-6-16/h2-6,13,18H,7-12,14H2,1H3
InChIKey
IZXQOIJROMIKGK-UHFFFAOYSA-N
Compound name
1-[2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 173.6
[M+Na]+ 323.18422 178.3
[M-H]- 299.18772 175.5
[M+NH4]+ 318.22882 183.6
[M+K]+ 339.15816 172.7
[M+H-H2O]+ 283.19226 161.9
[M+HCOO]- 345.19320 188.0
[M+CH3COO]- 359.20885 181.8
[M+Na-2H]- 321.16967 174.5
[M]+ 300.19445 169.8
[M]- 300.19555 169.8
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.