CID 63239

Brn 1041498

Structural Information

Molecular Formula
C19H17N5O2
SMILES
CC1=CC=C(C=C1)NC2=NN=C(O2)CN3C(=NC4=CC=CC=C4C3=O)C
InChI
InChI=1S/C19H17N5O2/c1-12-7-9-14(10-8-12)21-19-23-22-17(26-19)11-24-13(2)20-16-6-4-3-5-15(16)18(24)25/h3-10H,11H2,1-2H3,(H,21,23)
InChIKey
PBQCUXVJXZLTPQ-UHFFFAOYSA-N
Compound name
2-methyl-3-[[5-(4-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

347.1382 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14548 182.1
[M+Na]+ 370.12742 199.9
[M+NH4]+ 365.17202 188.6
[M+K]+ 386.10136 193.8
[M-H]- 346.13092 188.6
[M+Na-2H]- 368.11287 191.7
[M]+ 347.13765 186.6
[M]- 347.13875 186.6
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.