CID 1272984

477318-80-2

Structural Information

Molecular Formula
C26H25N3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC(=C4)C)C
InChI
InChI=1S/C26H25N3O3S/c1-4-32-21-11-9-20(10-12-21)29-25(31)22-7-5-6-8-23(22)28-26(29)33-16-24(30)27-19-14-17(2)13-18(3)15-19/h5-15H,4,16H2,1-3H3,(H,27,30)
InChIKey
BFAXLLDSOUVPEE-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.16165 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16893 212.4
[M+Na]+ 482.15087 220.5
[M-H]- 458.15437 220.3
[M+NH4]+ 477.19547 219.2
[M+K]+ 498.12481 212.9
[M+H-H2O]+ 442.15891 200.7
[M+HCOO]- 504.15985 226.6
[M+CH3COO]- 518.17550 220.3
[M+Na-2H]- 480.13632 213.0
[M]+ 459.16110 218.2
[M]- 459.16220 218.2
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.