CID 95885

Valeronitrile, 5-(dimethylamino)-2,2-diphenyl-

Structural Information

Molecular Formula
C19H22N2
SMILES
CN(C)CCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H22N2/c1-21(2)15-9-14-19(16-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13H,9,14-15H2,1-2H3
InChIKey
CUSRNMDZVRKOIM-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2,2-diphenylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.17828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.185556 174.6
[M+Na]+ 301.167498 181.4
[M-H]- 277.171004 180.0
[M+NH4]+ 296.212103 188.6
[M+K]+ 317.141438 175.9
[M+H-H2O]+ 261.175540 159.8
[M+HCOO]- 323.176481 193.3
[M+CH3COO]- 337.192131 216.5
[M+Na-2H]- 299.152946 178.8
[M]+ 278.17773142 169.9
[M]- 278.17882858 169.9
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

patents stripe