CID 107858

38236-46-3

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC(C)NCCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N
InChI
InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)
InChIKey
UWNSWIXIVDMCHZ-UHFFFAOYSA-N
Compound name
2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

1
Patents

297.1841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 172.5
[M+Na]+ 320.173318 175.6
[M-H]- 296.176824 176.4
[M+NH4]+ 315.217923 184.7
[M+K]+ 336.147258 171.7
[M+H-H2O]+ 280.181360 163.4
[M+HCOO]- 342.182301 192.4
[M+CH3COO]- 356.197951 209.2
[M+Na-2H]- 318.158766 176.8
[M]+ 297.18355142 170.0
[M]- 297.18464858 170.0
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