CID 3077858

Brn 4339296

Structural Information

Molecular Formula
C20H18N6O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CNC3=NN=C(O3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H18N6O4/c1-12-22-16-6-4-3-5-15(16)19(28)26(12)25-17(27)11-21-20-24-23-18(30-20)13-7-9-14(29-2)10-8-13/h3-10H,11H2,1-2H3,(H,21,24)(H,25,27)
InChIKey
KNEMHHUORMZKCQ-UHFFFAOYSA-N
Compound name
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.13895 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.146226 195.3
[M+Na]+ 429.128168 205.0
[M-H]- 405.131674 203.2
[M+NH4]+ 424.172773 201.1
[M+K]+ 445.102108 200.5
[M+H-H2O]+ 389.136210 183.2
[M+HCOO]- 451.137151 216.3
[M+CH3COO]- 465.152801 204.9
[M+Na-2H]- 427.113616 200.8
[M]+ 406.13840142 201.3
[M]- 406.13949858 201.3
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.