CID 6514010

29937-16-4

Structural Information

Molecular Formula
C16H22N2O3
SMILES
C/C(=N/O)/C1=CC=C(C=C1)OCC(=O)N2CCCCCC2
InChI
InChI=1S/C16H22N2O3/c1-13(17-20)14-6-8-15(9-7-14)21-12-16(19)18-10-4-2-3-5-11-18/h6-9,20H,2-5,10-12H2,1H3/b17-13-
InChIKey
PBIGRDVYLHNOOZ-LGMDPLHJSA-N
Compound name
1-(azepan-1-yl)-2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.170336 165.6
[M+Na]+ 313.152278 166.9
[M-H]- 289.155784 170.8
[M+NH4]+ 308.196883 177.9
[M+K]+ 329.126218 169.8
[M+H-H2O]+ 273.160320 157.3
[M+HCOO]- 335.161261 183.3
[M+CH3COO]- 349.176911 203.2
[M+Na-2H]- 311.137726 167.0
[M]+ 290.16251142 159.9
[M]- 290.16360858 159.9
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.