CID 3077853

Brn 4336972

Structural Information

Molecular Formula
C19H16N6O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CNC3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N6O3/c1-12-21-15-10-6-5-9-14(15)18(27)25(12)24-16(26)11-20-19-23-22-17(28-19)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,24,26)
InChIKey
HUAOJLXGNLYTTM-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-oxoquinazolin-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1284 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13568 187.3
[M+Na]+ 399.11762 197.0
[M-H]- 375.12112 194.9
[M+NH4]+ 394.16222 194.2
[M+K]+ 415.09156 191.7
[M+H-H2O]+ 359.12566 175.4
[M+HCOO]- 421.12660 208.5
[M+CH3COO]- 435.14225 197.3
[M+Na-2H]- 397.10307 193.9
[M]+ 376.12785 191.2
[M]- 376.12895 191.2
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.