CID 1888779

477318-88-0

Structural Information

Molecular Formula
C23H19BrN2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Br
InChI
InChI=1S/C23H19BrN2O2S/c1-2-28-19-13-11-18(12-14-19)26-22(27)20-5-3-4-6-21(20)25-23(26)29-15-16-7-9-17(24)10-8-16/h3-14H,2,15H2,1H3
InChIKey
PSXWMVUQXXHONW-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.03506 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.04234 193.8
[M+Na]+ 489.02428 206.1
[M-H]- 465.02778 204.1
[M+NH4]+ 484.06888 205.2
[M+K]+ 504.99822 192.0
[M+H-H2O]+ 449.03232 190.6
[M+HCOO]- 511.03326 207.1
[M+CH3COO]- 525.04891 205.2
[M+Na-2H]- 487.00973 198.2
[M]+ 466.03451 217.2
[M]- 466.03561 217.2
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.