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]+ 267.170336 162.7
[M+Na]+ 289.152278 168.5
[M-H]- 265.155784 167.8
[M+NH4]+ 284.196883 179.4
[M+K]+ 305.126218 164.1
[M+H-H2O]+ 249.160320 160.4
[M+HCOO]- 311.161261 187.4
[M+CH3COO]- 325.176911 202.3
[M+Na-2H]- 287.137726 165.5
[M]+ 266.16251142 165.7
[M]- 266.16360858 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.