CID 4199838

3-amino-n-benzylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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

No literature data available for this compound.

Patent stripe

patents stripe