CID 6090462

132680-93-4

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CC1=CC=C(C=C1)NC(=O)/C=C\2/C3=CC(=C(C=C3CC(N2)(C)C)OC)OC
InChI
InChI=1S/C22H26N2O3/c1-14-6-8-16(9-7-14)23-21(25)12-18-17-11-20(27-5)19(26-4)10-15(17)13-22(2,3)24-18/h6-12,24H,13H2,1-5H3,(H,23,25)/b18-12-
InChIKey
FHFMOXHRYJXHQG-PDGQHHTCSA-N
Compound name
(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 189.8
[M+Na]+ 389.18356 196.7
[M-H]- 365.18706 194.5
[M+NH4]+ 384.22816 203.2
[M+K]+ 405.15750 191.4
[M+H-H2O]+ 349.19160 181.0
[M+HCOO]- 411.19254 206.4
[M+CH3COO]- 425.20819 219.4
[M+Na-2H]- 387.16901 191.4
[M]+ 366.19379 189.9
[M]- 366.19489 189.9
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.