CID 3050090

65789-87-9

Structural Information

Molecular Formula
C22H21ClN4O2
SMILES
CC1=CC(=NC(=N1)C2=CC=CC=C2Cl)NC3=CC=C(C=C3)C(=O)N4CCOCC4
InChI
InChI=1S/C22H21ClN4O2/c1-15-14-20(26-21(24-15)18-4-2-3-5-19(18)23)25-17-8-6-16(7-9-17)22(28)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,24,25,26)
InChIKey
DXGHXKQNMMVEBS-UHFFFAOYSA-N
Compound name
[4-[[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1353 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14258 199.7
[M+Na]+ 431.12452 205.6
[M-H]- 407.12802 207.8
[M+NH4]+ 426.16912 204.2
[M+K]+ 447.09846 199.1
[M+H-H2O]+ 391.13256 186.3
[M+HCOO]- 453.13350 210.1
[M+CH3COO]- 467.14915 207.0
[M+Na-2H]- 429.10997 201.5
[M]+ 408.13475 198.3
[M]- 408.13585 198.3
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.