CID 44252884

Czc-25146

Structural Information

Molecular Formula
C22H25FN6O4S
SMILES
COC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)F
InChI
InChI=1S/C22H25FN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27)
InChIKey
XXHHOTZUJIXPJX-UHFFFAOYSA-N
Compound name
N-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

37
Patents

488.1642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.17148 210.4
[M+Na]+ 511.15342 221.3
[M+NH4]+ 506.19802 213.9
[M+K]+ 527.12736 214.5
[M-H]- 487.15692 216.5
[M+Na-2H]- 509.13887 218.5
[M]+ 488.16365 213.8
[M]- 488.16475 213.8
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

patents stripe