CID 390414

Nsc687768

Structural Information

Molecular Formula
C26H27N5O8S
SMILES
COC1=CC(=C(C=C1)OC)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=C(C=CC(=C4)OC)OC
InChI
InChI=1S/C26H27N5O8S/c1-36-16-5-9-23(38-3)21(11-16)27-14-25(32)29-31-15-28-20-8-7-18(13-19(20)26(31)33)40(34,35)30-22-12-17(37-2)6-10-24(22)39-4/h5-13,15,27,30H,14H2,1-4H3,(H,29,32)
InChIKey
BONRGSXYWWXQEB-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyanilino)-N-[6-[(2,5-dimethoxyphenyl)sulfamoyl]-4-oxoquinazolin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.16528 230.0
[M+Na]+ 592.14722 235.0
[M-H]- 568.15072 237.9
[M+NH4]+ 587.19182 230.7
[M+K]+ 608.12116 232.2
[M+H-H2O]+ 552.15526 217.6
[M+HCOO]- 614.15620 245.3
[M+CH3COO]- 628.17185 260.1
[M+Na-2H]- 590.13267 235.4
[M]+ 569.15745 239.5
[M]- 569.15855 239.5
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.