CID 63961

Brn 5643483

Structural Information

Molecular Formula
C19H14Br2N4O2
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CC3=NN=C(O3)CC4=CC=CC=C4
InChI
InChI=1S/C19H14Br2N4O2/c1-11-22-18-14(8-13(20)9-15(18)21)19(26)25(11)10-17-24-23-16(27-17)7-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3
InChIKey
LAFABFQZWDCEIR-UHFFFAOYSA-N
Compound name
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6,8-dibromo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.94836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.95564 179.6
[M+Na]+ 510.93758 192.3
[M-H]- 486.94108 189.3
[M+NH4]+ 505.98218 190.0
[M+K]+ 526.91152 178.1
[M+H-H2O]+ 470.94562 186.0
[M+HCOO]- 532.94656 192.8
[M+CH3COO]- 546.96221 191.7
[M+Na-2H]- 508.92303 184.9
[M]+ 487.94781 218.0
[M]- 487.94891 218.0
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.