CID 64103

Brn 1041411

Structural Information

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

347.1382 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.145476 183.9
[M+Na]+ 370.127418 195.8
[M-H]- 346.130924 191.5
[M+NH4]+ 365.172023 192.9
[M+K]+ 386.101358 189.7
[M+H-H2O]+ 330.135460 172.3
[M+HCOO]- 392.136401 204.7
[M+CH3COO]- 406.152051 194.9
[M+Na-2H]- 368.112866 189.6
[M]+ 347.13765142 188.8
[M]- 347.13874858 188.8
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.