CID 3549327

2-amino-n,n-diethyl-3-phenylpropanamide hydrochloride

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCN(CC)C(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C13H20N2O/c1-3-15(4-2)13(16)12(14)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10,14H2,1-2H3
InChIKey
XYSWMPMQILGZRX-UHFFFAOYSA-N
Compound name
2-amino-N,N-diethyl-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

220.15756 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 154.5
[M+Na]+ 243.146778 158.4
[M-H]- 219.150284 158.3
[M+NH4]+ 238.191383 172.4
[M+K]+ 259.120718 157.4
[M+H-H2O]+ 203.154820 147.1
[M+HCOO]- 265.155761 178.0
[M+CH3COO]- 279.171411 198.2
[M+Na-2H]- 241.132226 156.7
[M]+ 220.15701142 153.9
[M]- 220.15810858 153.9
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