CID 209214

Brn 0826236

Structural Information

Molecular Formula
C21H33N3O
SMILES
CCCCN(CCCC)CCCOC1=CC(=NN1C2=CC=CC=C2)C
InChI
InChI=1S/C21H33N3O/c1-4-6-14-23(15-7-5-2)16-11-17-25-21-18-19(3)22-24(21)20-12-9-8-10-13-20/h8-10,12-13,18H,4-7,11,14-17H2,1-3H3
InChIKey
SMWGRRDXNGFHIL-UHFFFAOYSA-N
Compound name
N-butyl-N-[3-(5-methyl-2-phenylpyrazol-3-yl)oxypropyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.26236 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.26964 188.9
[M+Na]+ 366.25158 200.0
[M+NH4]+ 361.29618 195.4
[M+K]+ 382.22552 193.3
[M-H]- 342.25508 192.2
[M+Na-2H]- 364.23703 194.9
[M]+ 343.26181 191.3
[M]- 343.26291 191.3
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

No patent data available for this compound.