CID 64067

Brn 1030626

Structural Information

Molecular Formula
C20H18N4OS
SMILES
CCCCC1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4OS/c1-2-3-13-17-22-23-20(26-17)24-18(14-9-5-4-6-10-14)21-16-12-8-7-11-15(16)19(24)25/h4-12H,2-3,13H2,1H3
InChIKey
RANWFUNVUNZAMG-UHFFFAOYSA-N
Compound name
3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12740 184.3
[M+Na]+ 385.10934 202.6
[M+NH4]+ 380.15394 192.2
[M+K]+ 401.08328 192.6
[M-H]- 361.11284 189.9
[M+Na-2H]- 383.09479 194.7
[M]+ 362.11957 189.2
[M]- 362.12067 189.2
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.