CID 3079318

Brn 4206380

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4CCOCC4
InChI
InChI=1S/C21H21N3O2/c1-16-19(21(25)23-12-14-26-15-13-23)20(17-8-4-2-5-9-17)22-24(16)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKey
ABMKWVIZWAIYEZ-UHFFFAOYSA-N
Compound name
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 184.1
[M+Na]+ 370.15262 189.7
[M-H]- 346.15612 192.9
[M+NH4]+ 365.19722 192.4
[M+K]+ 386.12656 185.1
[M+H-H2O]+ 330.16066 172.1
[M+HCOO]- 392.16160 199.6
[M+CH3COO]- 406.17725 193.1
[M+Na-2H]- 368.13807 184.0
[M]+ 347.16285 181.2
[M]- 347.16395 181.2
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.