CID 32375

Brn 0932002

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CCC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C20H21N3O2/c1-14-18(12-13-19(24)15-8-10-16(21)11-9-15)20(25)23(22(14)2)17-6-4-3-5-7-17/h3-11H,12-13,21H2,1-2H3
InChIKey
ROLHIPZCIYSBTB-UHFFFAOYSA-N
Compound name
4-[3-(4-aminophenyl)-3-oxopropyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.7
[M+Na]+ 358.15262 195.9
[M+NH4]+ 353.19722 188.0
[M+K]+ 374.12656 190.5
[M-H]- 334.15612 186.5
[M+Na-2H]- 356.13807 189.7
[M]+ 335.16285 185.0
[M]- 335.16395 185.0
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.