CID 63953

4(3h)-quinazolinone, 2-(((2-methoxyphenyl)amino)methyl)-3-(5-(((2-methoxyphenyl)amino)methyl)-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C26H24N6O3S
SMILES
COC1=CC=CC=C1NCC2=NC3=CC=CC=C3C(=O)N2C4=NN=C(S4)CNC5=CC=CC=C5OC
InChI
InChI=1S/C26H24N6O3S/c1-34-21-13-7-5-11-19(21)27-15-23-29-18-10-4-3-9-17(18)25(33)32(23)26-31-30-24(36-26)16-28-20-12-6-8-14-22(20)35-2/h3-14,27-28H,15-16H2,1-2H3
InChIKey
DORIULUFMTVNRN-UHFFFAOYSA-N
Compound name
2-[(2-methoxyanilino)methyl]-3-[5-[(2-methoxyanilino)methyl]-1,3,4-thiadiazol-2-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.16306 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.17034 216.6
[M+Na]+ 523.15228 226.2
[M-H]- 499.15578 226.4
[M+NH4]+ 518.19688 220.5
[M+K]+ 539.12622 217.7
[M+H-H2O]+ 483.16032 204.3
[M+HCOO]- 545.16126 233.7
[M+CH3COO]- 559.17691 224.5
[M+Na-2H]- 521.13773 220.1
[M]+ 500.16251 223.8
[M]- 500.16361 223.8
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.