CID 1889076

763136-92-1

Structural Information

Molecular Formula
C23H20N2O2S
SMILES
CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H20N2O2S/c1-16-6-5-7-17(14-16)15-28-23-24-21-9-4-3-8-20(21)22(26)25(23)18-10-12-19(27-2)13-11-18/h3-14H,15H2,1-2H3
InChIKey
YPRMXZAZUUYLSB-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.12454 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13182 193.5
[M+Na]+ 411.11376 203.7
[M-H]- 387.11726 201.8
[M+NH4]+ 406.15836 203.8
[M+K]+ 427.08770 195.9
[M+H-H2O]+ 371.12180 182.5
[M+HCOO]- 433.12274 208.6
[M+CH3COO]- 447.13839 203.4
[M+Na-2H]- 409.09921 196.1
[M]+ 388.12399 198.6
[M]- 388.12509 198.6
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.