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]+ 359.248176 191.4
[M+Na]+ 381.230118 194.3
[M-H]- 357.233624 197.2
[M+NH4]+ 376.274723 201.9
[M+K]+ 397.204058 186.3
[M+H-H2O]+ 341.238160 178.1
[M+HCOO]- 403.239101 200.8
[M+CH3COO]- 417.254751 197.9
[M+Na-2H]- 379.215566 192.1
[M]+ 358.24035142 182.0
[M]- 358.24144858 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.