CID 3024752

Crl 41254

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)NC(C)C(=O)C1=CC(=CC=C1)NC(=O)C
InChI
InChI=1S/C14H20N2O2/c1-9(2)15-10(3)14(18)12-6-5-7-13(8-12)16-11(4)17/h5-10,15H,1-4H3,(H,16,17)
InChIKey
CIYUJYPWSOZEMA-UHFFFAOYSA-N
Compound name
N-[3-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 160.3
[M+Na]+ 271.141698 164.3
[M-H]- 247.145204 163.5
[M+NH4]+ 266.186303 176.7
[M+K]+ 287.115638 163.1
[M+H-H2O]+ 231.149740 153.3
[M+HCOO]- 293.150681 182.1
[M+CH3COO]- 307.166331 202.7
[M+Na-2H]- 269.127146 160.7
[M]+ 248.15193142 159.7
[M]- 248.15302858 159.7
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.