CID 15956162

{6-[5-(1,1-dioxo-6-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-(4-morpholin-4-yl-phenyl)-amine

Structural Information

Molecular Formula
C27H29N5O4S
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CN6CCS(=O)(=O)CC6
InChI
InChI=1S/C27H29N5O4S/c33-37(34)15-11-31(12-16-37)18-23-6-8-26(36-23)20-1-7-25-24(17-20)27(29-19-28-25)30-21-2-4-22(5-3-21)32-9-13-35-14-10-32/h1-8,17,19H,9-16,18H2,(H,28,29,30)
InChIKey
FNDLQXKRWFHKGG-UHFFFAOYSA-N
Compound name
6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.19403 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.20131 219.0
[M+Na]+ 542.18325 225.4
[M-H]- 518.18675 230.5
[M+NH4]+ 537.22785 220.4
[M+K]+ 558.15719 220.4
[M+H-H2O]+ 502.19129 205.7
[M+HCOO]- 564.19223 226.6
[M+CH3COO]- 578.20788 224.9
[M+Na-2H]- 540.16870 219.2
[M]+ 519.19348 218.1
[M]- 519.19458 218.1
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.