CID 63466

Brn 1053659

Structural Information

Molecular Formula
C19H15Cl2N5O3
SMILES
CC1=NC2=C(C=C(C=C2Cl)Cl)C(=O)N1CC3=NN=C(O3)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C19H15Cl2N5O3/c1-10-22-17-14(7-11(20)8-15(17)21)18(27)26(10)9-16-24-25-19(29-16)23-12-3-5-13(28-2)6-4-12/h3-8H,9H2,1-2H3,(H,23,25)
InChIKey
DEIORTDZLYFXKS-UHFFFAOYSA-N
Compound name
6,8-dichloro-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

431.0552 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.06248 199.9
[M+Na]+ 454.04442 213.7
[M-H]- 430.04792 206.8
[M+NH4]+ 449.08902 207.1
[M+K]+ 470.01836 206.8
[M+H-H2O]+ 414.05246 188.4
[M+HCOO]- 476.05340 210.5
[M+CH3COO]- 490.06905 209.8
[M+Na-2H]- 452.02987 202.5
[M]+ 431.05465 210.1
[M]- 431.05575 210.1
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.