CID 487631

Isoquinolinium, 1-[1-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxy-2-methyl-

Structural Information

Molecular Formula
C22H24NO4
SMILES
C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)C(=C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H24NO4/c1-14(15-7-8-18(24-3)19(11-15)25-4)22-17-13-21(27-6)20(26-5)12-16(17)9-10-23(22)2/h7-13H,1H2,2-6H3/q+1
InChIKey
IWHJFDIHEAURIS-UHFFFAOYSA-N
Compound name
1-[1-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.17053 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17781 192.1
[M+Na]+ 389.15975 200.9
[M-H]- 365.16325 199.2
[M+NH4]+ 384.20435 204.3
[M+K]+ 405.13369 191.6
[M+H-H2O]+ 349.16779 184.9
[M+HCOO]- 411.16873 211.3
[M+CH3COO]- 425.18438 214.6
[M+Na-2H]- 387.14520 195.7
[M]+ 366.16998 198.3
[M]- 366.17108 198.3
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.