CID 3077857

Brn 4338283

Structural Information

Molecular Formula
C20H18N6O3
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)NCC(=O)NN3C(=NC4=CC=CC=C4C3=O)C
InChI
InChI=1S/C20H18N6O3/c1-12-7-9-14(10-8-12)18-23-24-20(29-18)21-11-17(27)25-26-13(2)22-16-6-4-3-5-15(16)19(26)28/h3-10H,11H2,1-2H3,(H,21,24)(H,25,27)
InChIKey
BLYNMCGTJUMNJA-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-oxoquinazolin-3-yl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.14404 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15132 193.4
[M+Na]+ 413.13326 203.5
[M-H]- 389.13676 201.2
[M+NH4]+ 408.17786 200.0
[M+K]+ 429.10720 198.1
[M+H-H2O]+ 373.14130 181.5
[M+HCOO]- 435.14224 214.3
[M+CH3COO]- 449.15789 203.2
[M+Na-2H]- 411.11871 198.6
[M]+ 390.14349 198.1
[M]- 390.14459 198.1
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.