CID 202734

13200-69-6

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCN(CC)CCCOC1=CC(=NN1CC2=CC=CC=C2)C
InChI
InChI=1S/C18H27N3O/c1-4-20(5-2)12-9-13-22-18-14-16(3)19-21(18)15-17-10-7-6-8-11-17/h6-8,10-11,14H,4-5,9,12-13,15H2,1-3H3
InChIKey
FNIKIPDDJVZHNV-UHFFFAOYSA-N
Compound name
3-(2-benzyl-5-methylpyrazol-3-yl)oxy-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.222696 175.2
[M+Na]+ 324.204638 181.0
[M-H]- 300.208144 180.1
[M+NH4]+ 319.249243 189.9
[M+K]+ 340.178578 177.9
[M+H-H2O]+ 284.212680 165.2
[M+HCOO]- 346.213621 198.1
[M+CH3COO]- 360.229271 211.7
[M+Na-2H]- 322.190086 176.8
[M]+ 301.21487142 180.2
[M]- 301.21596858 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.