CID 360345

Nsc622393

Structural Information

Molecular Formula
C26H33N3O
SMILES
CCCC1=NN(C(=C1CC)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C26H33N3O/c1-4-12-24-23(5-2)25(28(3)27-24)17-18-26(30)29(19-21-13-8-6-9-14-21)20-22-15-10-7-11-16-22/h6-11,13-16H,4-5,12,17-20H2,1-3H3
InChIKey
SCSPTDHDSPBXHJ-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-3-(4-ethyl-2-methyl-5-propylpyrazol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.26236 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.26964 204.6
[M+Na]+ 426.25158 208.9
[M-H]- 402.25508 212.2
[M+NH4]+ 421.29618 214.5
[M+K]+ 442.22552 203.2
[M+H-H2O]+ 386.25962 192.8
[M+HCOO]- 448.26056 225.2
[M+CH3COO]- 462.27621 231.5
[M+Na-2H]- 424.23703 202.4
[M]+ 403.26181 208.6
[M]- 403.26291 208.6
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.