CID 3068654

83658-48-4

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O2/c1-21(2)12-11-16-13-15-5-3-4-6-18(15)19(20-16)14-7-9-17(10-8-14)22(23)24/h3-10,16H,11-13H2,1-2H3
InChIKey
ZXSLXITVRFLBPG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-(4-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 176.2
[M+Na]+ 346.15262 180.8
[M-H]- 322.15612 183.0
[M+NH4]+ 341.19722 189.0
[M+K]+ 362.12656 172.9
[M+H-H2O]+ 306.16066 170.6
[M+HCOO]- 368.16160 198.1
[M+CH3COO]- 382.17725 210.8
[M+Na-2H]- 344.13807 182.5
[M]+ 323.16285 175.0
[M]- 323.16395 175.0
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.