CID 431416

53428-19-6

Structural Information

Molecular Formula
C32H43N3O2
SMILES
CCN1C2=C(C=C(C=C2)C(=O)CCCN3CCCCC3)C4=C1C=CC(=C4)C(=O)CCCN5CCCCC5
InChI
InChI=1S/C32H43N3O2/c1-2-35-29-15-13-25(31(36)11-9-21-33-17-5-3-6-18-33)23-27(29)28-24-26(14-16-30(28)35)32(37)12-10-22-34-19-7-4-8-20-34/h13-16,23-24H,2-12,17-22H2,1H3
InChIKey
SZOVJNISTCHJKQ-UHFFFAOYSA-N
Compound name
1-[9-ethyl-6-(4-piperidin-1-ylbutanoyl)carbazol-3-yl]-4-piperidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

501.33554 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.34282 229.7
[M+Na]+ 524.32476 229.5
[M-H]- 500.32826 233.6
[M+NH4]+ 519.36936 234.4
[M+K]+ 540.29870 221.4
[M+H-H2O]+ 484.33280 215.9
[M+HCOO]- 546.33374 236.2
[M+CH3COO]- 560.34939 232.7
[M+Na-2H]- 522.31021 222.8
[M]+ 501.33499 225.6
[M]- 501.33609 225.6
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

patents stripe