CID 19777

Brn 2657112

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C18H21NO2/c1-12(2)15-10-9-13(3)16(17(15)20)18(21)19-11-14-7-5-4-6-8-14/h4-10,12,20H,11H2,1-3H3,(H,19,21)
InChIKey
DOTLLLAYWFMKNX-UHFFFAOYSA-N
Compound name
N-benzyl-2-hydroxy-6-methyl-3-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 168.0
[M+Na]+ 306.146448 174.1
[M-H]- 282.149954 173.5
[M+NH4]+ 301.191053 183.0
[M+K]+ 322.120388 170.0
[M+H-H2O]+ 266.154490 160.5
[M+HCOO]- 328.155431 189.2
[M+CH3COO]- 342.171081 204.3
[M+Na-2H]- 304.131896 169.3
[M]+ 283.15668142 168.0
[M]- 283.15777858 168.0
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.