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
3
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]+ 298.19138 172.5
[M+Na]+ 320.17332 175.6
[M-H]- 296.17682 176.4
[M+NH4]+ 315.21792 184.7
[M+K]+ 336.14726 171.7
[M+H-H2O]+ 280.18136 163.4
[M+HCOO]- 342.18230 192.4
[M+CH3COO]- 356.19795 209.2
[M+Na-2H]- 318.15877 176.8
[M]+ 297.18355 170.0
[M]- 297.18465 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.