CID 203748

15090-12-7

Structural Information

Molecular Formula
C18H26N4O
SMILES
CC1=NN(C(=C1)OCCN2CCN(CC2)C)CC3=CC=CC=C3
InChI
InChI=1S/C18H26N4O/c1-16-14-18(22(19-16)15-17-6-4-3-5-7-17)23-13-12-21-10-8-20(2)9-11-21/h3-7,14H,8-13,15H2,1-2H3
InChIKey
OLJGURHAYUAIJM-UHFFFAOYSA-N
Compound name
1-[2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.21066 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21794 178.6
[M+Na]+ 337.19988 184.2
[M-H]- 313.20338 182.0
[M+NH4]+ 332.24448 189.0
[M+K]+ 353.17382 179.1
[M+H-H2O]+ 297.20792 166.6
[M+HCOO]- 359.20886 194.1
[M+CH3COO]- 373.22451 187.3
[M+Na-2H]- 335.18533 178.5
[M]+ 314.21011 177.3
[M]- 314.21121 177.3
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

patents stripe