CID 43083688

N-phenyl-2-(propylamino)propanamide

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCCNC(C)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C12H18N2O/c1-3-9-13-10(2)12(15)14-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,14,15)
InChIKey
DENITXZENVSYCJ-UHFFFAOYSA-N
Compound name
N-phenyl-2-(propylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 149.1
[M+Na]+ 229.13112 153.2
[M-H]- 205.13462 152.1
[M+NH4]+ 224.17572 167.2
[M+K]+ 245.10506 151.4
[M+H-H2O]+ 189.13916 142.1
[M+HCOO]- 251.14010 173.1
[M+CH3COO]- 265.15575 192.4
[M+Na-2H]- 227.11657 153.7
[M]+ 206.14135 147.9
[M]- 206.14245 147.9
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