CID 1863601

2-(cinnamylsulfanyl)-3-(4-methoxyphenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C24H20N2O2S
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC/C=C/C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O2S/c1-28-20-15-13-19(14-16-20)26-23(27)21-11-5-6-12-22(21)25-24(26)29-17-7-10-18-8-3-2-4-9-18/h2-16H,17H2,1H3/b10-7+
InChIKey
VQTXSEAUOBUPFQ-JXMROGBWSA-N
Compound name
3-(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.12454 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.13182 196.9
[M+Na]+ 423.11376 206.1
[M-H]- 399.11726 204.6
[M+NH4]+ 418.15836 206.4
[M+K]+ 439.08770 197.4
[M+H-H2O]+ 383.12180 185.6
[M+HCOO]- 445.12274 211.9
[M+CH3COO]- 459.13839 206.1
[M+Na-2H]- 421.09921 199.7
[M]+ 400.12399 201.0
[M]- 400.12509 201.0
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.