CID 16212

3-hydroxy-n-(beta-hydroxyphenethyl)-p-cymene-2-carboxamide

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCC(C2=CC=CC=C2)O
InChI
InChI=1S/C19H23NO3/c1-12(2)15-10-9-13(3)17(18(15)22)19(23)20-11-16(21)14-7-5-4-6-8-14/h4-10,12,16,21-22H,11H2,1-3H3,(H,20,23)
InChIKey
CAZRPXALVAUTHU-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-hydroxy-2-phenylethyl)-6-methyl-3-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 176.0
[M+Na]+ 336.15702 180.6
[M-H]- 312.16052 179.9
[M+NH4]+ 331.20162 188.8
[M+K]+ 352.13096 176.9
[M+H-H2O]+ 296.16506 168.3
[M+HCOO]- 358.16600 194.4
[M+CH3COO]- 372.18165 208.1
[M+Na-2H]- 334.14247 175.0
[M]+ 313.16725 175.2
[M]- 313.16835 175.2
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

No patent data available for this compound.