CID 37697

37129-57-0

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC1(C2=CC=CC=C2N(C1=O)CCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O/c1-22(18-10-4-2-5-11-18)19-12-6-7-13-20(19)24(21(22)25)17-16-23-14-8-3-9-15-23/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey
KBFXNQZICUSEEA-UHFFFAOYSA-N
Compound name
3-methyl-3-phenyl-1-(2-piperidin-1-ylethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.211776 184.0
[M+Na]+ 357.193718 189.6
[M-H]- 333.197224 190.8
[M+NH4]+ 352.238323 199.0
[M+K]+ 373.167658 183.1
[M+H-H2O]+ 317.201760 173.0
[M+HCOO]- 379.202701 199.4
[M+CH3COO]- 393.218351 193.1
[M+Na-2H]- 355.179166 184.6
[M]+ 334.20395142 179.9
[M]- 334.20504858 179.9
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.