CID 49437

N-(2-cyanoethyl)dibenzylamine hydrochloride

Structural Information

Molecular Formula
C17H18N2
SMILES
C1=CC=C(C=C1)CN(CCC#N)CC2=CC=CC=C2
InChI
InChI=1S/C17H18N2/c18-12-7-13-19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,13-15H2
InChIKey
MPOVCDFGYVNNNK-UHFFFAOYSA-N
Compound name
3-(dibenzylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

250.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 163.1
[M+Na]+ 273.13622 170.5
[M-H]- 249.13972 168.6
[M+NH4]+ 268.18082 178.1
[M+K]+ 289.11016 164.8
[M+H-H2O]+ 233.14426 148.2
[M+HCOO]- 295.14520 183.9
[M+CH3COO]- 309.16085 210.8
[M+Na-2H]- 271.12167 168.1
[M]+ 250.14645 158.3
[M]- 250.14755 158.3
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