CID 3062450

3,4-dihydroxy-n-(3-phenylpropyl)benzamide

Structural Information

Molecular Formula
C16H17NO3
SMILES
C1=CC=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C16H17NO3/c18-14-9-8-13(11-15(14)19)16(20)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18-19H,4,7,10H2,(H,17,20)
InChIKey
DZSCQOOBZCMOKC-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-N-(3-phenylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

271.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.128126 162.2
[M+Na]+ 294.110068 167.9
[M-H]- 270.113574 166.2
[M+NH4]+ 289.154673 176.6
[M+K]+ 310.084008 163.4
[M+H-H2O]+ 254.118110 154.6
[M+HCOO]- 316.119051 183.7
[M+CH3COO]- 330.134701 195.9
[M+Na-2H]- 292.095516 166.0
[M]+ 271.12030142 161.2
[M]- 271.12139858 161.2
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

patents stripe