CID 15956174

Schembl4884731

Structural Information

Molecular Formula
C25H24N4O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C25H24N4O3S/c1-33(30,31)22-9-2-18(3-10-22)19-4-11-24-23(16-19)25(27-17-26-24)28-20-5-7-21(8-6-20)29-12-14-32-15-13-29/h2-11,16-17H,12-15H2,1H3,(H,26,27,28)
InChIKey
OZFXMAQJOOEPLQ-UHFFFAOYSA-N
Compound name
6-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

460.15692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.16420 209.1
[M+Na]+ 483.14614 215.4
[M-H]- 459.14964 218.2
[M+NH4]+ 478.19074 212.1
[M+K]+ 499.12008 208.8
[M+H-H2O]+ 443.15418 196.4
[M+HCOO]- 505.15512 218.3
[M+CH3COO]- 519.17077 215.7
[M+Na-2H]- 481.13159 213.7
[M]+ 460.15637 208.0
[M]- 460.15747 208.0
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.