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]+ 467.042336 193.8
[M+Na]+ 489.024278 206.1
[M-H]- 465.027784 204.1
[M+NH4]+ 484.068883 205.2
[M+K]+ 504.998218 192.0
[M+H-H2O]+ 449.032320 190.6
[M+HCOO]- 511.033261 207.1
[M+CH3COO]- 525.048911 205.2
[M+Na-2H]- 487.009726 198.2
[M]+ 466.03451142 217.2
[M]- 466.03560858 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.