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]+ 284.16451 168.0
[M+Na]+ 306.14645 174.1
[M-H]- 282.14995 173.5
[M+NH4]+ 301.19105 183.0
[M+K]+ 322.12039 170.0
[M+H-H2O]+ 266.15449 160.5
[M+HCOO]- 328.15543 189.2
[M+CH3COO]- 342.17108 204.3
[M+Na-2H]- 304.13190 169.3
[M]+ 283.15668 168.0
[M]- 283.15778 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.