CID 9588477

Brn 5630869

Structural Information

Molecular Formula
C21H20N4O3
SMILES
CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC=CC=C3
InChI
InChI=1S/C21H20N4O3/c1-14(17-6-4-3-5-7-17)22-24-20(26)13-28-18-10-8-16(9-11-18)12-19-15(2)23-25-21(19)27/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27)/b19-12-,22-14+
InChIKey
JLGRNGVCJDMZBG-WVZZZZASSA-N
Compound name
2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]-N-[(E)-1-phenylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15353 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16081 189.8
[M+Na]+ 399.14275 194.6
[M-H]- 375.14625 196.9
[M+NH4]+ 394.18735 199.4
[M+K]+ 415.11669 189.2
[M+H-H2O]+ 359.15079 179.0
[M+HCOO]- 421.15173 211.3
[M+CH3COO]- 435.16738 220.9
[M+Na-2H]- 397.12820 189.9
[M]+ 376.15298 188.8
[M]- 376.15408 188.8
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.