CID 19778

Brn 2816352

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)OC)C(=O)NC2=CC=C(C=C2)O
InChI
InChI=1S/C18H21NO3/c1-11(2)15-10-5-12(3)16(17(15)22-4)18(21)19-13-6-8-14(20)9-7-13/h5-11,20H,1-4H3,(H,19,21)
InChIKey
HGVRPELXKKPPSB-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.8
[M+Na]+ 322.14135 177.6
[M-H]- 298.14485 176.7
[M+NH4]+ 317.18595 185.4
[M+K]+ 338.11529 174.4
[M+H-H2O]+ 282.14939 163.2
[M+HCOO]- 344.15033 192.2
[M+CH3COO]- 358.16598 207.7
[M+Na-2H]- 320.12680 171.4
[M]+ 299.15158 172.6
[M]- 299.15268 172.6
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.