CID 3077854

Brn 4338966

Structural Information

Molecular Formula
C19H15FN6O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CNC3=NN=C(O3)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H15FN6O3/c1-11-22-15-5-3-2-4-14(15)18(28)26(11)25-16(27)10-21-19-24-23-17(29-19)12-6-8-13(20)9-7-12/h2-9H,10H2,1H3,(H,21,24)(H,25,27)
InChIKey
PYPCQDXKGDGAPD-UHFFFAOYSA-N
Compound name
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.11896 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12624 191.5
[M+Na]+ 417.10818 202.1
[M-H]- 393.11168 198.1
[M+NH4]+ 412.15278 197.9
[M+K]+ 433.08212 196.4
[M+H-H2O]+ 377.11622 178.8
[M+HCOO]- 439.11716 211.7
[M+CH3COO]- 453.13281 201.2
[M+Na-2H]- 415.09363 196.7
[M]+ 394.11841 195.0
[M]- 394.11951 195.0
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.