CID 2797018

Maybridge4_000144

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=NCCC4=CC(=C(C=C43)OC)OC
InChI
InChI=1S/C21H20N2O3/c1-13-19(20(23-26-13)14-7-5-4-6-8-14)21-16-12-18(25-3)17(24-2)11-15(16)9-10-22-21/h4-8,11-12H,9-10H2,1-3H3
InChIKey
GSNGPIFGSDKLIH-UHFFFAOYSA-N
Compound name
4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

348.1474 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 184.0
[M+Na]+ 371.136618 193.4
[M-H]- 347.140124 193.3
[M+NH4]+ 366.181223 195.9
[M+K]+ 387.110558 189.4
[M+H-H2O]+ 331.144660 173.6
[M+HCOO]- 393.145601 203.2
[M+CH3COO]- 407.161251 195.2
[M+Na-2H]- 369.122066 186.4
[M]+ 348.14685142 188.5
[M]- 348.14794858 188.5
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

No patent data available for this compound.