CID 200369

Benzamidine, n-benzyl-, hydrochloride

Structural Information

Molecular Formula
C14H14N2
SMILES
C1=CC=C(C=C1)CN=C(C2=CC=CC=C2)N
InChI
InChI=1S/C14H14N2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)
InChIKey
QZARWWZWTPDHPY-UHFFFAOYSA-N
Compound name
N'-benzylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

50
Patents

210.11569 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.122966 146.9
[M+Na]+ 233.104908 152.4
[M-H]- 209.108414 154.1
[M+NH4]+ 228.149513 165.0
[M+K]+ 249.078848 148.7
[M+H-H2O]+ 193.112950 138.9
[M+HCOO]- 255.113891 173.5
[M+CH3COO]- 269.129541 193.1
[M+Na-2H]- 231.090356 154.0
[M]+ 210.11514142 144.1
[M]- 210.11623858 144.1
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