CID 3047317

Gc 72

Structural Information

Molecular Formula
C13H20N2O
SMILES
CN(C)CCNC(=O)CCC1=CC=CC=C1
InChI
InChI=1S/C13H20N2O/c1-15(2)11-10-14-13(16)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,14,16)
InChIKey
VEVNIWBGQJFGND-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 153.4
[M+Na]+ 243.146778 157.6
[M-H]- 219.150284 157.7
[M+NH4]+ 238.191383 171.7
[M+K]+ 259.120718 156.4
[M+H-H2O]+ 203.154820 146.0
[M+HCOO]- 265.155761 178.6
[M+CH3COO]- 279.171411 198.0
[M+Na-2H]- 241.132226 158.0
[M]+ 220.15701142 154.5
[M]- 220.15810858 154.5
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