CID 3077856

Brn 4339009

Structural Information

Molecular Formula
C19H15BrN6O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CNC3=NN=C(O3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H15BrN6O3/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
ZSNZXLFTOFORKX-UHFFFAOYSA-N
Compound name
2-[[5-(4-bromophenyl)-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

454.0389 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.04618 193.6
[M+Na]+ 477.02812 205.6
[M-H]- 453.03162 203.4
[M+NH4]+ 472.07272 201.8
[M+K]+ 493.00206 193.6
[M+H-H2O]+ 437.03616 188.7
[M+HCOO]- 499.03710 212.4
[M+CH3COO]- 513.05275 204.8
[M+Na-2H]- 475.01357 200.2
[M]+ 454.03835 215.9
[M]- 454.03945 215.9
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.