CID 63775

Brn 1049938

Structural Information

Molecular Formula
C19H15Cl2N5O2
SMILES
CC1=CC(=CC=C1)NC2=NN=C(O2)CN3C(=NC4=C(C3=O)C=C(C=C4Cl)Cl)C
InChI
InChI=1S/C19H15Cl2N5O2/c1-10-4-3-5-13(6-10)23-19-25-24-16(28-19)9-26-11(2)22-17-14(18(26)27)7-12(20)8-15(17)21/h3-8H,9H2,1-2H3,(H,23,25)
InChIKey
VZHCODLJWAWKOG-UHFFFAOYSA-N
Compound name
6,8-dichloro-2-methyl-3-[[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.06027 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.06755 198.1
[M+Na]+ 438.04949 212.2
[M-H]- 414.05299 204.9
[M+NH4]+ 433.09409 206.1
[M+K]+ 454.02343 204.5
[M+H-H2O]+ 398.05753 186.7
[M+HCOO]- 460.05847 208.6
[M+CH3COO]- 474.07412 208.1
[M+Na-2H]- 436.03494 200.5
[M]+ 415.05972 207.0
[M]- 415.06082 207.0
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.