CID 51253

Brn 0445143

Structural Information

Molecular Formula
C25H30N2
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C31)C4CCCC=C4N5CCCCC5
InChI
InChI=1S/C25H30N2/c1-26-22-14-6-3-11-19(22)25(20-12-4-7-15-23(20)26)21-13-5-8-16-24(21)27-17-9-2-10-18-27/h3-4,6-7,11-12,14-16,21,25H,2,5,8-10,13,17-18H2,1H3
InChIKey
ILBJKROSMQLPRC-UHFFFAOYSA-N
Compound name
10-methyl-9-(2-piperidin-1-ylcyclohex-2-en-1-yl)-9H-acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2409 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24818 191.4
[M+Na]+ 381.23012 194.3
[M-H]- 357.23362 197.2
[M+NH4]+ 376.27472 201.9
[M+K]+ 397.20406 186.3
[M+H-H2O]+ 341.23816 178.1
[M+HCOO]- 403.23910 200.8
[M+CH3COO]- 417.25475 197.9
[M+Na-2H]- 379.21557 192.1
[M]+ 358.24035 182.0
[M]- 358.24145 182.0
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.