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]+ 348.170676 184.1
[M+Na]+ 370.152618 189.7
[M-H]- 346.156124 192.9
[M+NH4]+ 365.197223 192.4
[M+K]+ 386.126558 185.1
[M+H-H2O]+ 330.160660 172.1
[M+HCOO]- 392.161601 199.6
[M+CH3COO]- 406.177251 193.1
[M+Na-2H]- 368.138066 184.0
[M]+ 347.16285142 181.2
[M]- 347.16394858 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.