CID 3607549

4-({(e)-[3-(difluoromethoxy)phenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one

Structural Information

Molecular Formula
C19H17F2N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC=C3)OC(F)F
InChI
InChI=1S/C19H17F2N3O2/c1-13-17(18(25)24(23(13)2)15-8-4-3-5-9-15)22-12-14-7-6-10-16(11-14)26-19(20)21/h3-12,19H,1-2H3
InChIKey
RVNPBEHZCGSJER-UHFFFAOYSA-N
Compound name
4-[[3-(difluoromethoxy)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.12888 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13616 181.7
[M+Na]+ 380.11810 191.7
[M-H]- 356.12160 188.7
[M+NH4]+ 375.16270 194.1
[M+K]+ 396.09204 186.0
[M+H-H2O]+ 340.12614 169.6
[M+HCOO]- 402.12708 203.9
[M+CH3COO]- 416.14273 219.3
[M+Na-2H]- 378.10355 181.7
[M]+ 357.12833 183.5
[M]- 357.12943 183.5
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.