CID 6912360

132680-92-3

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CC1(CC2=CC(=C(C=C2/C(=C/C(=O)NC3=CC=CC=C3)/N1)OC)OC)C
InChI
InChI=1S/C21H24N2O3/c1-21(2)13-14-10-18(25-3)19(26-4)11-16(14)17(23-21)12-20(24)22-15-8-6-5-7-9-15/h5-12,23H,13H2,1-4H3,(H,22,24)/b17-12-
InChIKey
COONSYAKGFZWJH-ATVHPVEESA-N
Compound name
(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 185.5
[M+Na]+ 375.167898 191.9
[M-H]- 351.171404 190.0
[M+NH4]+ 370.212503 199.2
[M+K]+ 391.141838 186.7
[M+H-H2O]+ 335.175940 176.6
[M+HCOO]- 397.176881 202.5
[M+CH3COO]- 411.192531 215.1
[M+Na-2H]- 373.153346 188.3
[M]+ 352.17813142 184.9
[M]- 352.17922858 184.9
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.