CID 362985

Nsc627514

Structural Information

Molecular Formula
C22H22NO4
SMILES
CC1=CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C22H22NO4/c1-13-8-17-16-11-21(26-4)19(24-2)9-14(16)6-7-23(17)18-12-22(27-5)20(25-3)10-15(13)18/h6-12H,1-5H3/q+1
InChIKey
WTPOUALVYSCXFZ-UHFFFAOYSA-N
Compound name
2,3,9,10-tetramethoxy-13-methylisoquinolino[2,1-a]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15488 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16216 191.6
[M+Na]+ 387.14410 203.0
[M-H]- 363.14760 197.9
[M+NH4]+ 382.18870 206.2
[M+K]+ 403.11804 193.2
[M+H-H2O]+ 347.15214 184.1
[M+HCOO]- 409.15308 210.5
[M+CH3COO]- 423.16873 215.5
[M+Na-2H]- 385.12955 199.8
[M]+ 364.15433 200.5
[M]- 364.15543 200.5
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.