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 194.4
[M+Na]+ 411.12499 206.2
[M-H]- 387.12849 200.8
[M+NH4]+ 406.16959 204.2
[M+K]+ 427.09893 196.8
[M+H-H2O]+ 371.13303 183.7
[M+HCOO]- 433.13397 209.8
[M+CH3COO]- 447.14962 204.2
[M+Na-2H]- 409.11044 195.7
[M]+ 388.13522 200.1
[M]- 388.13632 200.1
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.