CID 9588059

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

Structural Information

Molecular Formula
C19H18N6O3
SMILES
CC1=CC=C(C=C1)NC(=O)NC(=O)COC2=CC=C(C=C2)/C=N/N3C=NN=C3
InChI
InChI=1S/C19H18N6O3/c1-14-2-6-16(7-3-14)23-19(27)24-18(26)11-28-17-8-4-15(5-9-17)10-22-25-12-20-21-13-25/h2-10,12-13H,11H2,1H3,(H2,23,24,26,27)/b22-10+
InChIKey
XSMHQZRVUBKUBK-LSHDLFTRSA-N
Compound name
N-[(4-methylphenyl)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

378.14404 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15132 187.8
[M+Na]+ 401.13326 198.2
[M+NH4]+ 396.17786 191.8
[M+K]+ 417.10720 194.6
[M-H]- 377.13676 191.8
[M+Na-2H]- 399.11871 196.1
[M]+ 378.14349 189.8
[M]- 378.14459 189.8
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.