CID 3077855

Brn 4338976

Structural Information

Molecular Formula
C19H15ClN6O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CNC3=NN=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN6O3/c1-11-22-15-5-3-2-4-14(15)18(28)26(11)25-16(27)10-21-19-24-23-17(29-19)12-6-8-13(20)9-7-12/h2-9H,10H2,1H3,(H,21,24)(H,25,27)
InChIKey
KLBFNOJUWHCHDC-UHFFFAOYSA-N
Compound name
2-[[5-(4-chlorophenyl)-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

410.08942 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09670 195.2
[M+Na]+ 433.07864 206.3
[M-H]- 409.08214 202.7
[M+NH4]+ 428.12324 201.8
[M+K]+ 449.05258 200.0
[M+H-H2O]+ 393.08668 183.5
[M+HCOO]- 455.08762 211.6
[M+CH3COO]- 469.10327 204.9
[M+Na-2H]- 431.06409 200.3
[M]+ 410.08887 201.8
[M]- 410.08997 201.8
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.