CID 71862628

(1-(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)piperidin-4-yl)methanesulfonamide

Structural Information

Molecular Formula
C18H23ClN4O2S
SMILES
CCC1=C(N=C(N=C1Cl)C2=CC=CC=C2)N3CCC(CC3)CS(=O)(=O)N
InChI
InChI=1S/C18H23ClN4O2S/c1-2-15-16(19)21-17(14-6-4-3-5-7-14)22-18(15)23-10-8-13(9-11-23)12-26(20,24)25/h3-7,13H,2,8-12H2,1H3,(H2,20,24,25)
InChIKey
SBJAAHIEWCMYAM-UHFFFAOYSA-N
Compound name
[1-(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.12302 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13030 192.1
[M+Na]+ 417.11224 199.5
[M-H]- 393.11574 196.9
[M+NH4]+ 412.15684 200.0
[M+K]+ 433.08618 191.8
[M+H-H2O]+ 377.12028 182.3
[M+HCOO]- 439.12122 198.1
[M+CH3COO]- 453.13687 218.4
[M+Na-2H]- 415.09769 192.3
[M]+ 394.12247 192.2
[M]- 394.12357 192.2
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.