CID 16212

2015-54-5

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]+ 314.175076 176.0
[M+Na]+ 336.157018 180.6
[M-H]- 312.160524 179.9
[M+NH4]+ 331.201623 188.8
[M+K]+ 352.130958 176.9
[M+H-H2O]+ 296.165060 168.3
[M+HCOO]- 358.166001 194.4
[M+CH3COO]- 372.181651 208.1
[M+Na-2H]- 334.142466 175.0
[M]+ 313.16725142 175.2
[M]- 313.16834858 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.