CID 43647

61433-71-4

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCCNCC(=O)NC1=C(C=C(C=C1)COC2=CC=CC=C2)C
InChI
InChI=1S/C19H24N2O2/c1-3-11-20-13-19(22)21-18-10-9-16(12-15(18)2)14-23-17-7-5-4-6-8-17/h4-10,12,20H,3,11,13-14H2,1-2H3,(H,21,22)
InChIKey
MWVNQRBIPZIONG-UHFFFAOYSA-N
Compound name
N-[2-methyl-4-(phenoxymethyl)phenyl]-2-(propylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 176.1
[M+Na]+ 335.17300 180.5
[M-H]- 311.17650 182.1
[M+NH4]+ 330.21760 189.9
[M+K]+ 351.14694 176.5
[M+H-H2O]+ 295.18104 167.1
[M+HCOO]- 357.18198 200.4
[M+CH3COO]- 371.19763 212.7
[M+Na-2H]- 333.15845 179.5
[M]+ 312.18323 177.6
[M]- 312.18433 177.6
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

No patent data available for this compound.