CID 204750

Phenetole, beta-(n,n-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])C(C)C)OCCN(C)C
InChI
InChI=1S/C14H22N2O3/c1-10(2)12-9-13(16(17)18)11(3)8-14(12)19-7-6-15(4)5/h8-10H,6-7H2,1-5H3
InChIKey
ZHKLORRUQIPDAD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-methyl-4-nitro-2-propan-2-ylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

266.16306 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 161.9
[M+Na]+ 289.15228 173.6
[M+NH4]+ 284.19688 169.1
[M+K]+ 305.12622 170.7
[M-H]- 265.15578 165.5
[M+Na-2H]- 287.13773 166.6
[M]+ 266.16251 164.4
[M]- 266.16361 164.4
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.