CID 3054369

1-(2-(9,10-dihydro-10-methyl-9-acridinyl)cyclohexylidene)pyrrolidinium perchlorate

Structural Information

Molecular Formula
C24H29N2
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C31)C4CCCCC4=[N+]5CCCC5
InChI
InChI=1S/C24H29N2/c1-25-21-13-5-2-10-18(21)24(19-11-3-6-14-22(19)25)20-12-4-7-15-23(20)26-16-8-9-17-26/h2-3,5-6,10-11,13-14,20,24H,4,7-9,12,15-17H2,1H3/q+1
InChIKey
BTBWGTRNPJTFIY-UHFFFAOYSA-N
Compound name
10-methyl-9-(2-pyrrolidin-1-ium-1-ylidenecyclohexyl)-9H-acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.23306 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.24034 191.2
[M+Na]+ 368.22228 194.5
[M-H]- 344.22578 198.0
[M+NH4]+ 363.26688 204.1
[M+K]+ 384.19622 181.1
[M+H-H2O]+ 328.23032 182.0
[M+HCOO]- 390.23126 201.8
[M+CH3COO]- 404.24691 198.2
[M+Na-2H]- 366.20773 191.4
[M]+ 345.23251 180.8
[M]- 345.23361 180.8
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.