CID 3899714

2-amino-n-benzyl-3-phenylpropanamide hydrochloride

Structural Information

Molecular Formula
C16H18N2O
SMILES
C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)N
InChI
InChI=1S/C16H18N2O/c17-15(11-13-7-3-1-4-8-13)16(19)18-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2,(H,18,19)
InChIKey
JGZOEQPCTDHQRN-UHFFFAOYSA-N
Compound name
2-amino-N-benzyl-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

254.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 160.1
[M+Na]+ 277.131118 163.8
[M-H]- 253.134624 165.5
[M+NH4]+ 272.175723 175.4
[M+K]+ 293.105058 159.9
[M+H-H2O]+ 237.139160 151.7
[M+HCOO]- 299.140101 183.6
[M+CH3COO]- 313.155751 199.5
[M+Na-2H]- 275.116566 164.3
[M]+ 254.14135142 156.8
[M]- 254.14244858 156.8
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