CID 71315271

1268997-70-1

Structural Information

Molecular Formula
C22H21ClN4O4S
SMILES
CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)O)Cl
InChI
InChI=1S/C22H21ClN4O4S/c1-32(29,30)9-8-24-12-16-4-7-21(31-16)14-2-5-19-17(10-14)22(26-13-25-19)27-15-3-6-20(28)18(23)11-15/h2-7,10-11,13,24,28H,8-9,12H2,1H3,(H,25,26,27)
InChIKey
SVTCWAMLLWYBEI-UHFFFAOYSA-N
Compound name
2-chloro-4-[[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-yl]amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

472.0972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.10448 211.2
[M+Na]+ 495.08642 225.9
[M+NH4]+ 490.13102 216.9
[M+K]+ 511.06036 218.4
[M-H]- 471.08992 217.5
[M+Na-2H]- 493.07187 218.8
[M]+ 472.09665 215.9
[M]- 472.09775 215.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.