CID 203749

15090-13-8

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC1=NN(C(=C1)OCCCN(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C16H23N3O/c1-14-12-16(20-11-7-10-18(2)3)19(17-14)13-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3
InChIKey
SUIGSTVLZGUYBQ-UHFFFAOYSA-N
Compound name
3-(2-benzyl-5-methylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.1
[M+Na]+ 296.17332 172.8
[M-H]- 272.17682 171.3
[M+NH4]+ 291.21792 181.9
[M+K]+ 312.14726 170.1
[M+H-H2O]+ 256.18136 156.5
[M+HCOO]- 318.18230 189.7
[M+CH3COO]- 332.19795 205.8
[M+Na-2H]- 294.15877 168.8
[M]+ 273.18355 170.4
[M]- 273.18465 170.4
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.