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 188.8
[M+Na]+ 366.25158 193.2
[M-H]- 342.25508 193.0
[M+NH4]+ 361.29618 201.6
[M+K]+ 382.22552 189.3
[M+H-H2O]+ 326.25962 178.1
[M+HCOO]- 388.26056 210.6
[M+CH3COO]- 402.27621 220.6
[M+Na-2H]- 364.23703 188.8
[M]+ 343.26181 194.8
[M]- 343.26291 194.8
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.