CID 63176

85178-79-6

Structural Information

Molecular Formula
C18H11Br2N3O2S
SMILES
C1=CC=C(C=C1)COC2=NC3=C(C=C(C=C3Br)Br)C(=O)N2C4=NC=CS4
InChI
InChI=1S/C18H11Br2N3O2S/c19-12-8-13-15(14(20)9-12)22-17(25-10-11-4-2-1-3-5-11)23(16(13)24)18-21-6-7-26-18/h1-9H,10H2
InChIKey
FASBKBWLFKWEIR-UHFFFAOYSA-N
Compound name
6,8-dibromo-2-phenylmethoxy-3-(1,3-thiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.89386 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.90114 164.9
[M+Na]+ 513.88308 178.7
[M-H]- 489.88658 175.7
[M+NH4]+ 508.92768 178.3
[M+K]+ 529.85702 163.6
[M+H-H2O]+ 473.89112 173.3
[M+HCOO]- 535.89206 177.4
[M+CH3COO]- 549.90771 178.4
[M+Na-2H]- 511.86853 171.0
[M]+ 490.89331 204.3
[M]- 490.89441 204.3
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.