CID 34131

28058-63-1

Structural Information

Molecular Formula
C29H40N4O
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCC(CC4)(C(=O)N)N5CCCCC5)C
InChI
InChI=1S/C29H40N4O/c1-28(2)23-11-4-6-13-25(23)33(26-14-7-5-12-24(26)28)20-10-17-31-21-15-29(16-22-31,27(30)34)32-18-8-3-9-19-32/h4-7,11-14H,3,8-10,15-22H2,1-2H3,(H2,30,34)
InChIKey
PWXABFWTAFGOEN-UHFFFAOYSA-N
Compound name
1-[3-(9,9-dimethylacridin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.32022 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.32750 219.4
[M+Na]+ 483.30944 220.8
[M-H]- 459.31294 222.8
[M+NH4]+ 478.35404 227.5
[M+K]+ 499.28338 213.3
[M+H-H2O]+ 443.31748 204.4
[M+HCOO]- 505.31842 224.4
[M+CH3COO]- 519.33407 222.7
[M+Na-2H]- 481.29489 218.0
[M]+ 460.31967 210.0
[M]- 460.32077 210.0
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.