CID 107361

5005-46-9

Structural Information

Molecular Formula
C21H27N3
SMILES
CC(C)N(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2)C(C)C
InChI
InChI=1S/C21H27N3/c1-17(2)24(18(3)4)15-13-21(16-22,19-10-6-5-7-11-19)20-12-8-9-14-23-20/h5-12,14,17-18H,13,15H2,1-4H3
InChIKey
SSDIPWVFVFRNKB-UHFFFAOYSA-N
Compound name
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

321.2205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.227776 185.6
[M+Na]+ 344.209718 190.6
[M-H]- 320.213224 189.2
[M+NH4]+ 339.254323 196.4
[M+K]+ 360.183658 185.9
[M+H-H2O]+ 304.217760 169.4
[M+HCOO]- 366.218701 200.5
[M+CH3COO]- 380.234351 225.6
[M+Na-2H]- 342.195166 187.0
[M]+ 321.21995142 180.7
[M]- 321.22104858 180.7
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