CID 55793

Brn 5647033

Structural Information

Molecular Formula
C26H32BrN3O
SMILES
C1CCN(CC1)CC2(C3=CC=CC=C3N(C2=O)CN4CCCCC4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C26H32BrN3O/c27-22-13-11-21(12-14-22)26(19-28-15-5-1-6-16-28)23-9-3-4-10-24(23)30(25(26)31)20-29-17-7-2-8-18-29/h3-4,9-14H,1-2,5-8,15-20H2
InChIKey
CZMQVLZMIGCXNF-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1,3-bis(piperidin-1-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.18016 215.5
[M+Na]+ 504.16210 220.6
[M-H]- 480.16560 224.8
[M+NH4]+ 499.20670 226.4
[M+K]+ 520.13604 207.3
[M+H-H2O]+ 464.17014 210.1
[M+HCOO]- 526.17108 223.3
[M+CH3COO]- 540.18673 222.6
[M+Na-2H]- 502.14755 212.9
[M]+ 481.17233 225.7
[M]- 481.17343 225.7
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.