CID 1886155

566144-81-8

Structural Information

Molecular Formula
C26H20N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H20N2OS/c1-18-13-15-21(16-14-18)28-25(29)23-11-4-5-12-24(23)27-26(28)30-17-20-9-6-8-19-7-2-3-10-22(19)20/h2-16H,17H2,1H3
InChIKey
QVVROUXXWYWUDY-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.12964 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13692 199.7
[M+Na]+ 431.11886 210.9
[M-H]- 407.12236 208.6
[M+NH4]+ 426.16346 209.8
[M+K]+ 447.09280 201.2
[M+H-H2O]+ 391.12690 187.9
[M+HCOO]- 453.12784 214.5
[M+CH3COO]- 467.14349 209.2
[M+Na-2H]- 429.10431 204.6
[M]+ 408.12909 204.1
[M]- 408.13019 204.1
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.