CID 488121

O-thymol-pas

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC1=C(C=CC(=C1)COC(=O)C2=C(C=C(C=C2)N)O)C(C)C
InChI
InChI=1S/C18H21NO3/c1-11(2)15-6-4-13(8-12(15)3)10-22-18(21)16-7-5-14(19)9-17(16)20/h4-9,11,20H,10,19H2,1-3H3
InChIKey
GPCWGGRDUDWLHJ-UHFFFAOYSA-N
Compound name
(3-methyl-4-propan-2-ylphenyl)methyl 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.7
[M+Na]+ 322.14135 178.5
[M-H]- 298.14485 177.0
[M+NH4]+ 317.18595 186.0
[M+K]+ 338.11529 174.9
[M+H-H2O]+ 282.14939 164.1
[M+HCOO]- 344.15033 192.4
[M+CH3COO]- 358.16598 207.2
[M+Na-2H]- 320.12680 171.1
[M]+ 299.15158 172.5
[M]- 299.15268 172.5
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.