CID 375622

Nsc655444

Structural Information

Molecular Formula
C22H22NO5
SMILES
CC1=[N+]2C=CC3=CC(=C(C=C3C2=C(C4=CC(=C(C=C14)OC)OC)O)OC)OC
InChI
InChI=1S/C22H21NO5/c1-12-14-9-18(26-3)20(28-5)11-16(14)22(24)21-15-10-19(27-4)17(25-2)8-13(15)6-7-23(12)21/h6-11H,1-5H3/p+1
InChIKey
KHZNSMOSJYLIKG-UHFFFAOYSA-O
Compound name
2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1498 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15708 194.6
[M+Na]+ 403.13902 206.1
[M-H]- 379.14252 200.0
[M+NH4]+ 398.18362 208.0
[M+K]+ 419.11296 196.6
[M+H-H2O]+ 363.14706 187.5
[M+HCOO]- 425.14800 212.2
[M+CH3COO]- 439.16365 216.6
[M+Na-2H]- 401.12447 202.1
[M]+ 380.14925 203.7
[M]- 380.15035 203.7
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.