CID 63465

Brn 1049922

Structural Information

Molecular Formula
C19H16BrN5O3
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC3=NN=C(O3)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C19H16BrN5O3/c1-11-21-16-8-3-12(20)9-15(16)18(26)25(11)10-17-23-24-19(28-17)22-13-4-6-14(27-2)7-5-13/h3-9H,10H2,1-2H3,(H,22,24)
InChIKey
ZTMWVEKMTWIHPX-UHFFFAOYSA-N
Compound name
6-bromo-3-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.04364 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.05092 193.2
[M+Na]+ 464.03286 207.1
[M-H]- 440.03636 203.2
[M+NH4]+ 459.07746 202.7
[M+K]+ 480.00680 195.3
[M+H-H2O]+ 424.04090 188.8
[M+HCOO]- 486.04184 211.8
[M+CH3COO]- 500.05749 205.3
[M+Na-2H]- 462.01831 199.1
[M]+ 441.04309 217.8
[M]- 441.04419 217.8
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.