CID 6514010

Brn 1625848

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]+ 291.17034 165.6
[M+Na]+ 313.15228 166.9
[M-H]- 289.15578 170.8
[M+NH4]+ 308.19688 177.9
[M+K]+ 329.12622 169.8
[M+H-H2O]+ 273.16032 157.3
[M+HCOO]- 335.16126 183.3
[M+CH3COO]- 349.17691 203.2
[M+Na-2H]- 311.13773 167.0
[M]+ 290.16251 159.9
[M]- 290.16361 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.