CID 3068652

83658-47-3

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O2/c1-21(2)12-11-15-13-14-7-3-4-8-16(14)19(20-15)17-9-5-6-10-18(17)22(23)24/h3-10,15H,11-13H2,1-2H3
InChIKey
QDKPZYDYKFANAQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 175.2
[M+Na]+ 346.15262 190.4
[M+NH4]+ 341.19722 183.9
[M+K]+ 362.12656 184.4
[M-H]- 322.15612 182.5
[M+Na-2H]- 344.13807 183.8
[M]+ 323.16285 179.5
[M]- 323.16395 179.5
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.