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 186.2
[M+Na]+ 383.13662 190.8
[M-H]- 359.14012 194.6
[M+NH4]+ 378.18122 196.5
[M+K]+ 399.11056 181.3
[M+H-H2O]+ 343.14466 179.2
[M+HCOO]- 405.14560 205.3
[M+CH3COO]- 419.16125 211.4
[M+Na-2H]- 381.12207 191.7
[M]+ 360.14685 183.0
[M]- 360.14795 183.0
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.