CID 577832

4-amino-n-benzylbenzamide

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H14N2O/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
InChIKey
ZWMQLNXGNSNUEO-UHFFFAOYSA-N
Compound name
4-amino-N-benzylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

78
Patents

226.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.5
[M+Na]+ 249.09983 156.4
[M-H]- 225.10333 156.7
[M+NH4]+ 244.14443 167.4
[M+K]+ 265.07377 152.5
[M+H-H2O]+ 209.10787 142.7
[M+HCOO]- 271.10881 175.8
[M+CH3COO]- 285.12446 193.8
[M+Na-2H]- 247.08528 156.4
[M]+ 226.11006 147.6
[M]- 226.11116 147.6
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