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]+ 353.18596 185.5
[M+Na]+ 375.16790 191.9
[M-H]- 351.17140 190.0
[M+NH4]+ 370.21250 199.2
[M+K]+ 391.14184 186.7
[M+H-H2O]+ 335.17594 176.6
[M+HCOO]- 397.17688 202.5
[M+CH3COO]- 411.19253 215.1
[M+Na-2H]- 373.15335 188.3
[M]+ 352.17813 184.9
[M]- 352.17923 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.