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

18
Patents

254.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 160.1
[M+Na]+ 277.13112 163.8
[M-H]- 253.13462 165.5
[M+NH4]+ 272.17572 175.4
[M+K]+ 293.10506 159.9
[M+H-H2O]+ 237.13916 151.7
[M+HCOO]- 299.14010 183.6
[M+CH3COO]- 313.15575 199.5
[M+Na-2H]- 275.11657 164.3
[M]+ 254.14135 156.8
[M]- 254.14245 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