CID 222027

Dibenzylcyanamide

Structural Information

Molecular Formula
C15H14N2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C#N
InChI
InChI=1S/C15H14N2/c16-13-17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKey
GJAHYSLBRZODMY-UHFFFAOYSA-N
Compound name
dibenzylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

293
Patents

222.11569 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 155.2
[M+Na]+ 245.10491 163.3
[M-H]- 221.10841 161.0
[M+NH4]+ 240.14951 171.2
[M+K]+ 261.07885 158.1
[M+H-H2O]+ 205.11295 140.7
[M+HCOO]- 267.11389 176.6
[M+CH3COO]- 281.12954 205.5
[M+Na-2H]- 243.09036 161.2
[M]+ 222.11514 149.8
[M]- 222.11624 149.8
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