CID 6435943

Brn 1042011

Structural Information

Molecular Formula
C22H20N4OS
SMILES
CCCCC1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C22H20N4OS/c1-2-3-13-20-24-25-22(28-20)26-19(15-14-16-9-5-4-6-10-16)23-18-12-8-7-11-17(18)21(26)27/h4-12,14-15H,2-3,13H2,1H3/b15-14+
InChIKey
HAABHQIYKWQJOL-CCEZHUSRSA-N
Compound name
3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.13577 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14305 192.5
[M+Na]+ 411.12499 210.4
[M+NH4]+ 406.16959 199.9
[M+K]+ 427.09893 200.0
[M-H]- 387.12849 197.8
[M+Na-2H]- 409.11044 202.4
[M]+ 388.13522 197.3
[M]- 388.13632 197.3
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.