CID 11187857

Pmid25666693-compound-109

Structural Information

Molecular Formula
C20H23ClN4O
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCC(=CC2)C3=NC=CN=C3Cl
InChI
InChI=1S/C20H23ClN4O/c1-20(2,3)15-4-6-16(7-5-15)24-19(26)25-12-8-14(9-13-25)17-18(21)23-11-10-22-17/h4-8,10-11H,9,12-13H2,1-3H3,(H,24,26)
InChIKey
SOOFDEGWVPVUAQ-UHFFFAOYSA-N
Compound name
N-(4-tert-butylphenyl)-4-(3-chloropyrazin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15604 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16332 191.1
[M+Na]+ 393.14526 197.4
[M-H]- 369.14876 196.1
[M+NH4]+ 388.18986 199.5
[M+K]+ 409.11920 190.5
[M+H-H2O]+ 353.15330 179.9
[M+HCOO]- 415.15424 201.8
[M+CH3COO]- 429.16989 217.1
[M+Na-2H]- 391.13071 194.0
[M]+ 370.15549 190.2
[M]- 370.15659 190.2
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.