CID 9571388

Nsc651698

Structural Information

Molecular Formula
C20H20N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H20N4O3/c1-14-18(20(26)24(23(14)2)16-7-5-4-6-8-16)13-21-22-19(25)15-9-11-17(27-3)12-10-15/h4-13H,1-3H3,(H,22,25)/b21-13+
InChIKey
BJJUWMOEJIIKTP-FYJGNVAPSA-N
Compound name
N-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15353 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 186.4
[M+Na]+ 387.14275 194.9
[M-H]- 363.14625 196.1
[M+NH4]+ 382.18735 198.1
[M+K]+ 403.11669 190.3
[M+H-H2O]+ 347.15079 175.7
[M+HCOO]- 409.15173 211.8
[M+CH3COO]- 423.16738 223.0
[M+Na-2H]- 385.12820 187.9
[M]+ 364.15298 190.5
[M]- 364.15408 190.5
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.