CID 9939865

313489-71-3

Structural Information

Molecular Formula
C27H33N5O2
SMILES
CN1CCC(CC1)N2CCN(CC2)C(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)C=CN5
InChI
InChI=1S/C27H33N5O2/c1-30-13-10-23(11-14-30)31-15-17-32(18-16-31)27(34)25(21-5-3-2-4-6-21)29-26(33)22-8-7-20-9-12-28-24(20)19-22/h2-9,12,19,23,25,28H,10-11,13-18H2,1H3,(H,29,33)/t25-/m1/s1
InChIKey
VYNKVNDKAOGAAQ-RUZDIDTESA-N
Compound name
N-[(1R)-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]-1H-indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

396
Patents

459.26343 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.27071 211.6
[M+Na]+ 482.25265 222.4
[M+NH4]+ 477.29725 216.7
[M+K]+ 498.22659 217.8
[M-H]- 458.25615 216.8
[M+Na-2H]- 480.23810 217.9
[M]+ 459.26288 214.2
[M]- 459.26398 214.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe