CID 32587

Brn 0698003

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C20H19N3O3/c1-3-26-20(25)15-9-11-16(12-10-15)21-13-18-14(2)22-23(19(18)24)17-7-5-4-6-8-17/h4-13,22H,3H2,1-2H3
InChIKey
RLAOSFVYZNBJRV-UHFFFAOYSA-N
Compound name
ethyl 4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14264 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 182.7
[M+Na]+ 372.13186 190.8
[M-H]- 348.13536 190.6
[M+NH4]+ 367.17646 194.3
[M+K]+ 388.10580 185.3
[M+H-H2O]+ 332.13990 172.3
[M+HCOO]- 394.14084 205.6
[M+CH3COO]- 408.15649 214.2
[M+Na-2H]- 370.11731 183.8
[M]+ 349.14209 185.2
[M]- 349.14319 185.2
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.