CID 1098360

4-((3-bromo-benzylidene)-amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

Structural Information

Molecular Formula
C18H16BrN3O
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC=C3)Br
InChI
InChI=1S/C18H16BrN3O/c1-13-17(20-12-14-7-6-8-15(19)11-14)18(23)22(21(13)2)16-9-4-3-5-10-16/h3-12H,1-2H3
InChIKey
IGBVZLSWRKDHPA-UHFFFAOYSA-N
Compound name
4-[(3-bromophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.04767 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05495 177.3
[M+Na]+ 392.03689 190.6
[M-H]- 368.04039 189.1
[M+NH4]+ 387.08149 193.5
[M+K]+ 408.01083 177.4
[M+H-H2O]+ 352.04493 174.2
[M+HCOO]- 414.04587 200.3
[M+CH3COO]- 428.06152 191.4
[M+Na-2H]- 390.02234 181.2
[M]+ 369.04712 198.5
[M]- 369.04822 198.5
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.