CID 5062914

Alpha-(3,4-dimethoxyphenethylimino)-alpha-methyl-o-cresol

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC(=NCCC1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2O
InChI
InChI=1S/C18H21NO3/c1-13(15-6-4-5-7-16(15)20)19-11-10-14-8-9-17(21-2)18(12-14)22-3/h4-9,12,20H,10-11H2,1-3H3
InChIKey
DTTZPBCSBHBWMD-UHFFFAOYSA-N
Compound name
2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 170.9
[M+Na]+ 322.141348 177.5
[M-H]- 298.144854 177.7
[M+NH4]+ 317.185953 185.9
[M+K]+ 338.115288 174.4
[M+H-H2O]+ 282.149390 162.5
[M+HCOO]- 344.150331 194.7
[M+CH3COO]- 358.165981 207.9
[M+Na-2H]- 320.126796 173.8
[M]+ 299.15158142 174.7
[M]- 299.15267858 174.7
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.