CID 9589055

Brn 4261842

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CCCC/C(=N\NC(=O)C(C)(C)O)/C1=CC=CC=C1Cl
InChI
InChI=1S/C15H21ClN2O2/c1-4-5-10-13(11-8-6-7-9-12(11)16)17-18-14(19)15(2,3)20/h6-9,20H,4-5,10H2,1-3H3,(H,18,19)/b17-13+
InChIKey
DCIQBBBVFGZIRA-GHRIWEEISA-N
Compound name
N-[(E)-1-(2-chlorophenyl)pentylideneamino]-2-hydroxy-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 170.8
[M+Na]+ 319.11837 176.2
[M-H]- 295.12187 173.9
[M+NH4]+ 314.16297 186.5
[M+K]+ 335.09231 172.0
[M+H-H2O]+ 279.12641 164.9
[M+HCOO]- 341.12735 188.2
[M+CH3COO]- 355.14300 207.2
[M+Na-2H]- 317.10382 173.5
[M]+ 296.12860 173.4
[M]- 296.12970 173.4
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.