CID 6433981

Brn 2667214

Structural Information

Molecular Formula
C15H21NO4
SMILES
CCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NO)OC
InChI
InChI=1S/C15H21NO4/c1-3-4-5-10-20-13-8-6-12(11-14(13)19-2)7-9-15(17)16-18/h6-9,11,18H,3-5,10H2,1-2H3,(H,16,17)/b9-7+
InChIKey
XMZUJESEDSZCKX-VQHVLOKHSA-N
Compound name
(E)-N-hydroxy-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.6
[M+Na]+ 302.13628 171.1
[M-H]- 278.13978 167.4
[M+NH4]+ 297.18088 180.8
[M+K]+ 318.11022 168.4
[M+H-H2O]+ 262.14432 158.5
[M+HCOO]- 324.14526 187.9
[M+CH3COO]- 338.16091 200.1
[M+Na-2H]- 300.12173 167.8
[M]+ 279.14651 169.3
[M]- 279.14761 169.3
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.