CID 419773

57129-74-5

Structural Information

Molecular Formula
C22H28NO4
SMILES
C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)OC)OC)OC
InChI
InChI=1S/C22H28NO4/c1-23-7-6-14-9-19(24-2)22(27-5)12-17(14)18(23)8-15-10-20(25-3)21(26-4)11-16(15)13-23/h9-12,18H,6-8,13H2,1-5H3/q+1
InChIKey
NNAIRPYKTUWQMJ-UHFFFAOYSA-N
Compound name
2,3,10,11-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.20184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20912 190.9
[M+Na]+ 393.19106 198.6
[M-H]- 369.19456 195.4
[M+NH4]+ 388.23566 206.9
[M+K]+ 409.16500 189.1
[M+H-H2O]+ 353.19910 183.6
[M+HCOO]- 415.20004 204.1
[M+CH3COO]- 429.21569 215.0
[M+Na-2H]- 391.17651 197.3
[M]+ 370.20129 193.7
[M]- 370.20239 193.7
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.