CID 131316

Y 19432

Structural Information

Molecular Formula
C27H35N3O2
SMILES
CCCCN1C(=C(C2=C1C=CC(=C2)O)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4)C
InChI
InChI=1S/C27H35N3O2/c1-3-4-15-30-20(2)26(24-19-23(31)10-11-25(24)30)27(32)28-22-13-17-29(18-14-22)16-12-21-8-6-5-7-9-21/h5-11,19,22,31H,3-4,12-18H2,1-2H3,(H,28,32)
InChIKey
RTQZMJOPISROQH-UHFFFAOYSA-N
Compound name
1-butyl-5-hydroxy-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

433.27292 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.28020 211.8
[M+Na]+ 456.26214 224.3
[M+NH4]+ 451.30674 218.1
[M+K]+ 472.23608 217.3
[M-H]- 432.26564 217.1
[M+Na-2H]- 454.24759 217.5
[M]+ 433.27237 214.9
[M]- 433.27347 214.9
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