CID 1558619

477735-16-3

Structural Information

Molecular Formula
C24H20N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC/C=C/C4=CC=CC=C4
InChI
InChI=1S/C24H20N2OS/c1-18-13-15-20(16-14-18)26-23(27)21-11-5-6-12-22(21)25-24(26)28-17-7-10-19-8-3-2-4-9-19/h2-16H,17H2,1H3/b10-7+
InChIKey
DBTXBAQHQFUCFL-JXMROGBWSA-N
Compound name
3-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.12964 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13692 193.4
[M+Na]+ 407.11886 202.9
[M-H]- 383.12236 201.1
[M+NH4]+ 402.16346 203.7
[M+K]+ 423.09280 193.5
[M+H-H2O]+ 367.12690 182.3
[M+HCOO]- 429.12784 208.3
[M+CH3COO]- 443.14349 202.8
[M+Na-2H]- 405.10431 196.1
[M]+ 384.12909 196.2
[M]- 384.13019 196.2
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.