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

0
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 162.7
[M+Na]+ 289.15228 168.5
[M-H]- 265.15578 167.8
[M+NH4]+ 284.19688 179.4
[M+K]+ 305.12622 164.1
[M+H-H2O]+ 249.16032 160.4
[M+HCOO]- 311.16126 187.4
[M+CH3COO]- 325.17691 202.3
[M+Na-2H]- 287.13773 165.5
[M]+ 266.16251 165.7
[M]- 266.16361 165.7
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.