CID 3055605

Acetamide, n-(4-((4,5-dihydro-1h-imidazol-2-yl)methyl)-2,3,5,6-tetramethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC1=C(C(=C(C(=C1CC2=NCCN2)C)C)NC(=O)C)C
InChI
InChI=1S/C16H23N3O/c1-9-11(3)16(19-13(5)20)12(4)10(2)14(9)8-15-17-6-7-18-15/h6-8H2,1-5H3,(H,17,18)(H,19,20)
InChIKey
CRVNYCKZARLTFC-UHFFFAOYSA-N
Compound name
N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,5,6-tetramethylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 167.6
[M+Na]+ 296.17332 175.6
[M-H]- 272.17682 171.1
[M+NH4]+ 291.21792 183.0
[M+K]+ 312.14726 170.9
[M+H-H2O]+ 256.18136 159.8
[M+HCOO]- 318.18230 187.0
[M+CH3COO]- 332.19795 203.3
[M+Na-2H]- 294.15877 166.3
[M]+ 273.18355 167.3
[M]- 273.18465 167.3
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.