CID 14645090

N-methyl-2-(4-nitrophenoxy)-n-[2-(4-nitrophenyl)ethyl]ethanamine

Structural Information

Molecular Formula
C17H19N3O5
SMILES
CN(CCC1=CC=C(C=C1)[N+](=O)[O-])CCOC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H19N3O5/c1-18(11-10-14-2-4-15(5-3-14)19(21)22)12-13-25-17-8-6-16(7-9-17)20(23)24/h2-9H,10-13H2,1H3
InChIKey
BDCVRCLAXLOSLH-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-(4-nitrophenoxy)ethyl]-2-(4-nitrophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

345.13248 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13976 181.9
[M+Na]+ 368.12170 184.2
[M-H]- 344.12520 188.8
[M+NH4]+ 363.16630 192.5
[M+K]+ 384.09564 174.3
[M+H-H2O]+ 328.12974 181.1
[M+HCOO]- 390.13068 207.6
[M+CH3COO]- 404.14633 207.1
[M+Na-2H]- 366.10715 188.4
[M]+ 345.13193 181.5
[M]- 345.13303 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe