CID 63494

Brn 1029439

Structural Information

Molecular Formula
C19H16N4OS
SMILES
CC(C)C1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H16N4OS/c1-12(2)17-21-22-19(25-17)23-16(13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18(23)24/h3-12H,1-2H3
InChIKey
ZRDGVSTZZUKERD-UHFFFAOYSA-N
Compound name
2-phenyl-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11178 181.5
[M+Na]+ 371.09372 194.0
[M-H]- 347.09722 188.6
[M+NH4]+ 366.13832 192.9
[M+K]+ 387.06766 186.4
[M+H-H2O]+ 331.10176 171.6
[M+HCOO]- 393.10270 196.8
[M+CH3COO]- 407.11835 192.5
[M+Na-2H]- 369.07917 183.5
[M]+ 348.10395 186.7
[M]- 348.10505 186.7
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.