CID 3089978

2,2-dichloro-3-dibenzylamino-3-phenyl-propionitrile

Structural Information

Molecular Formula
C23H20Cl2N2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(C3=CC=CC=C3)C(C#N)(Cl)Cl
InChI
InChI=1S/C23H20Cl2N2/c24-23(25,18-26)22(21-14-8-3-9-15-21)27(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22H,16-17H2
InChIKey
VWNFQMMJAZMEDY-UHFFFAOYSA-N
Compound name
2,2-dichloro-3-(dibenzylamino)-3-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.10034 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10762 202.3
[M+Na]+ 417.08956 210.3
[M-H]- 393.09306 208.6
[M+NH4]+ 412.13416 212.5
[M+K]+ 433.06350 199.7
[M+H-H2O]+ 377.09760 187.1
[M+HCOO]- 439.09854 211.1
[M+CH3COO]- 453.11419 209.1
[M+Na-2H]- 415.07501 204.1
[M]+ 394.09979 199.4
[M]- 394.10089 199.4
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.