CID 33351

Gea 679

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCCNCC(=O)NC(C)(C)C1=CC=C(C=C1)C
InChI
InChI=1S/C15H24N2O/c1-5-10-16-11-14(18)17-15(3,4)13-8-6-12(2)7-9-13/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKey
ZLBCIBZQSOEJSC-UHFFFAOYSA-N
Compound name
N-[2-(4-methylphenyl)propan-2-yl]-2-(propylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

248.18886 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.19614 161.8
[M+Na]+ 271.17808 166.3
[M-H]- 247.18158 164.9
[M+NH4]+ 266.22268 178.7
[M+K]+ 287.15202 163.7
[M+H-H2O]+ 231.18612 155.0
[M+HCOO]- 293.18706 184.2
[M+CH3COO]- 307.20271 202.1
[M+Na-2H]- 269.16353 166.1
[M]+ 248.18831 162.2
[M]- 248.18941 162.2
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