CID 9588061

Brn 0591872

Structural Information

Molecular Formula
C19H18N6O4
SMILES
COC1=CC=CC(=C1)NC(=O)NC(=O)COC2=CC=C(C=C2)/C=N/N3C=NN=C3
InChI
InChI=1S/C19H18N6O4/c1-28-17-4-2-3-15(9-17)23-19(27)24-18(26)11-29-16-7-5-14(6-8-16)10-22-25-12-20-21-13-25/h2-10,12-13H,11H2,1H3,(H2,23,24,26,27)/b22-10+
InChIKey
TVBVYOOOAIMAFP-LSHDLFTRSA-N
Compound name
N-[(3-methoxyphenyl)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

394.13895 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14623 190.5
[M+Na]+ 417.12817 200.4
[M+NH4]+ 412.17277 194.0
[M+K]+ 433.10211 197.4
[M-H]- 393.13167 194.0
[M+Na-2H]- 415.11362 198.4
[M]+ 394.13840 192.3
[M]- 394.13950 192.3
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.