CID 9588064

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

Structural Information

Molecular Formula
C18H15FN6O3
SMILES
C1=CC(=CC(=C1)F)NC(=O)NC(=O)COC2=CC=C(C=C2)/C=N/N3C=NN=C3
InChI
InChI=1S/C18H15FN6O3/c19-14-2-1-3-15(8-14)23-18(27)24-17(26)10-28-16-6-4-13(5-7-16)9-22-25-11-20-21-12-25/h1-9,11-12H,10H2,(H2,23,24,26,27)/b22-9+
InChIKey
YLKTVVFXFOXGIV-LSFURLLWSA-N
Compound name
N-[(3-fluorophenyl)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

382.11896 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12624 184.1
[M+Na]+ 405.10818 189.7
[M-H]- 381.11168 190.5
[M+NH4]+ 400.15278 192.4
[M+K]+ 421.08212 185.4
[M+H-H2O]+ 365.11622 171.1
[M+HCOO]- 427.11716 208.0
[M+CH3COO]- 441.13281 223.4
[M+Na-2H]- 403.09363 188.6
[M]+ 382.11841 184.4
[M]- 382.11951 184.4
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.