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]+ 407.14623 195.3
[M+Na]+ 429.12817 205.0
[M-H]- 405.13167 203.2
[M+NH4]+ 424.17277 201.1
[M+K]+ 445.10211 200.5
[M+H-H2O]+ 389.13621 183.2
[M+HCOO]- 451.13715 216.3
[M+CH3COO]- 465.15280 204.9
[M+Na-2H]- 427.11362 200.8
[M]+ 406.13840 201.3
[M]- 406.13950 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.