CID 6435966

Brn 1018786

Structural Information

Molecular Formula
C18H12N4OS
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=NN=CS4
InChI
InChI=1S/C18H12N4OS/c23-17-14-8-4-5-9-15(14)20-16(22(17)18-21-19-12-24-18)11-10-13-6-2-1-3-7-13/h1-12H/b11-10+
InChIKey
RSYSDKKJQOTFOB-ZHACJKMWSA-N
Compound name
2-[(E)-2-phenylethenyl]-3-(1,3,4-thiadiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.07318 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08046 176.7
[M+Na]+ 355.06240 189.6
[M-H]- 331.06590 183.4
[M+NH4]+ 350.10700 188.5
[M+K]+ 371.03634 181.0
[M+H-H2O]+ 315.07044 166.6
[M+HCOO]- 377.07138 193.5
[M+CH3COO]- 391.08703 188.0
[M+Na-2H]- 353.04785 180.7
[M]+ 332.07263 180.8
[M]- 332.07373 180.8
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.