CID 498408

Orange sulfate

Structural Information

Molecular Formula
C18H14NO3
SMILES
COC1=C(C=C2C(=C1)C=C[N+]3=C2C(=O)C4=CC=CC=C43)OC
InChI
InChI=1S/C18H14NO3/c1-21-15-9-11-7-8-19-14-6-4-3-5-12(14)18(20)17(19)13(11)10-16(15)22-2/h3-10H,1-2H3/q+1
InChIKey
QDIBUWVKVQIARU-UHFFFAOYSA-N
Compound name
2,3-dimethoxyindolo[2,1-a]isoquinolin-7-ium-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.09738 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10466 168.5
[M+Na]+ 315.08660 179.8
[M-H]- 291.09010 174.9
[M+NH4]+ 310.13120 187.6
[M+K]+ 331.06054 169.4
[M+H-H2O]+ 275.09464 163.4
[M+HCOO]- 337.09558 188.9
[M+CH3COO]- 351.11123 198.4
[M+Na-2H]- 313.07205 176.7
[M]+ 292.09683 173.0
[M]- 292.09793 173.0
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

patents stripe