CID 63464

Brn 1046549

Structural Information

Molecular Formula
C19H17N5O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=NN=C(O3)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C19H17N5O3/c1-12-20-16-6-4-3-5-15(16)18(25)24(12)11-17-22-23-19(27-17)21-13-7-9-14(26-2)10-8-13/h3-10H,11H2,1-2H3,(H,21,23)
InChIKey
HXWLWAVTDJBXOE-UHFFFAOYSA-N
Compound name
3-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.13315 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14043 186.3
[M+Na]+ 386.12237 197.9
[M-H]- 362.12587 194.0
[M+NH4]+ 381.16697 194.5
[M+K]+ 402.09631 192.5
[M+H-H2O]+ 346.13041 174.5
[M+HCOO]- 408.13135 207.2
[M+CH3COO]- 422.14700 197.1
[M+Na-2H]- 384.10782 192.1
[M]+ 363.13260 192.5
[M]- 363.13370 192.5
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.