CID 9588062

Urea, 1-(o-ethoxyphenyl)-3-((p-((4h-1,2,4-triazol-4-ylimino)methyl)phenoxy)acetyl)-

Structural Information

Molecular Formula
C20H20N6O4
SMILES
CCOC1=CC=CC=C1NC(=O)NC(=O)COC2=CC=C(C=C2)/C=N/N3C=NN=C3
InChI
InChI=1S/C20H20N6O4/c1-2-29-18-6-4-3-5-17(18)24-20(28)25-19(27)12-30-16-9-7-15(8-10-16)11-23-26-13-21-22-14-26/h3-11,13-14H,2,12H2,1H3,(H2,24,25,27,28)/b23-11+
InChIKey
GJFCIFLCHBESDL-FOKLQQMPSA-N
Compound name
N-[(2-ethoxyphenyl)carbamoyl]-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1546 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16188 194.8
[M+Na]+ 431.14382 204.5
[M+NH4]+ 426.18842 198.1
[M+K]+ 447.11776 201.3
[M-H]- 407.14732 198.3
[M+Na-2H]- 429.12927 202.4
[M]+ 408.15405 196.5
[M]- 408.15515 196.5
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.