CID 97030

89575-10-0

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C15H23NO3/c1-3-4-5-6-7-15(18)16-11-12-8-9-13(17)14(10-12)19-2/h8-10,17H,3-7,11H2,1-2H3,(H,16,18)
InChIKey
PEQWQUXJLRBUEP-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

265.1678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.3
[M+Na]+ 288.15702 174.2
[M+NH4]+ 283.20162 170.5
[M+K]+ 304.13096 168.1
[M-H]- 264.16052 165.2
[M+Na-2H]- 286.14247 168.2
[M]+ 265.16725 165.6
[M]- 265.16835 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe