CID 6435938

3-(5-((ethylazo)methyl)-1,3,4-thiadiazol-2-yl)-2-(2-phenylethenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C21H18N6OS
SMILES
CCN=NCC1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C21H18N6OS/c1-2-22-23-14-19-25-26-21(29-19)27-18(13-12-15-8-4-3-5-9-15)24-17-11-7-6-10-16(17)20(27)28/h3-13H,2,14H2,1H3/b13-12+,23-22?
InChIKey
FONIHHMNYGOMNM-PZFGMSNSSA-N
Compound name
3-[5-[(ethyldiazenyl)methyl]-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

402.12628 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13356 193.2
[M+Na]+ 425.11550 209.8
[M+NH4]+ 420.16010 200.1
[M+K]+ 441.08944 199.8
[M-H]- 401.11900 199.7
[M+Na-2H]- 423.10095 204.0
[M]+ 402.12573 197.9
[M]- 402.12683 197.9
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.