CID 66163

77-11-2

Structural Information

Molecular Formula
C22H28N2
SMILES
CC(C)N(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C22H28N2/c1-18(2)24(19(3)4)16-15-22(17-23,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19H,15-16H2,1-4H3
InChIKey
VNZNXSQQHNCELU-UHFFFAOYSA-N
Compound name
4-[di(propan-2-yl)amino]-2,2-diphenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

320.22525 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.232526 188.1
[M+Na]+ 343.214468 193.1
[M-H]- 319.217974 193.1
[M+NH4]+ 338.259073 200.3
[M+K]+ 359.188408 188.0
[M+H-H2O]+ 303.222510 172.9
[M+HCOO]- 365.223451 204.0
[M+CH3COO]- 379.239101 225.9
[M+Na-2H]- 341.199916 188.7
[M]+ 320.22470142 183.2
[M]- 320.22579858 183.2
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