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 188.2
[M+Na]+ 417.12817 192.9
[M-H]- 393.13167 195.7
[M+NH4]+ 412.17277 195.8
[M+K]+ 433.10211 189.7
[M+H-H2O]+ 377.13621 175.8
[M+HCOO]- 439.13715 212.9
[M+CH3COO]- 453.15280 226.0
[M+Na-2H]- 415.11362 192.8
[M]+ 394.13840 191.0
[M]- 394.13950 191.0
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.