CID 44149285

9-methoxy-2,5,11-trimethyl-6h-pyrido(4,3-b)carbazolium acetate

Structural Information

Molecular Formula
C19H21N2O
SMILES
CC1=C2C(CC3=C2C=C(C=C3)OC)N(C4=C1C=[N+](C=C4)C)C
InChI
InChI=1S/C19H21N2O/c1-12-16-11-20(2)8-7-17(16)21(3)18-9-13-5-6-14(22-4)10-15(13)19(12)18/h5-8,10-11,18H,9H2,1-4H3/q+1
InChIKey
OGNFRUAIVARJCR-UHFFFAOYSA-N
Compound name
9-methoxy-2,5,11-trimethyl-5a,6-dihydroindeno[2,1-b][1,6]naphthyridin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17265 173.8
[M+Na]+ 316.15459 184.7
[M-H]- 292.15809 178.5
[M+NH4]+ 311.19919 192.0
[M+K]+ 332.12853 173.3
[M+H-H2O]+ 276.16263 168.0
[M+HCOO]- 338.16357 190.5
[M+CH3COO]- 352.17922 202.2
[M+Na-2H]- 314.14004 179.4
[M]+ 293.16482 176.0
[M]- 293.16592 176.0
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

No patent data available for this compound.