CID 63774

Brn 1047175

Structural Information

Molecular Formula
C19H16BrN5O2
SMILES
CC1=CC(=CC=C1)NC2=NN=C(O2)CN3C(=NC4=C(C3=O)C=C(C=C4)Br)C
InChI
InChI=1S/C19H16BrN5O2/c1-11-4-3-5-14(8-11)22-19-24-23-17(27-19)10-25-12(2)21-16-7-6-13(20)9-15(16)18(25)26/h3-9H,10H2,1-2H3,(H,22,24)
InChIKey
TVQCZEQYODYEMN-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-3-[[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.04874 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.05602 191.4
[M+Na]+ 448.03796 205.7
[M-H]- 424.04146 201.4
[M+NH4]+ 443.08256 201.6
[M+K]+ 464.01190 193.1
[M+H-H2O]+ 408.04600 187.2
[M+HCOO]- 470.04694 209.8
[M+CH3COO]- 484.06259 203.7
[M+Na-2H]- 446.02341 197.1
[M]+ 425.04819 214.8
[M]- 425.04929 214.8
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.