CID 3024614

96719-49-2

Structural Information

Molecular Formula
C22H20N2O3
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C22H20N2O3/c1-27-18-11-12-19-16(15-18)13-14-23(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)24(25)26/h2-12,15,22H,13-14H2,1H3
InChIKey
DSZPHTQRMCGHOZ-UHFFFAOYSA-N
Compound name
6-methoxy-1-(2-nitrophenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1474 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15468 185.1
[M+Na]+ 383.13662 202.5
[M+NH4]+ 378.18122 194.0
[M+K]+ 399.11056 195.3
[M-H]- 359.14012 193.9
[M+Na-2H]- 381.12207 195.3
[M]+ 360.14685 190.2
[M]- 360.14795 190.2
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.