CID 36997

1-benzyl-3-methyl-3-piperidinomethyl-2-indolinone hydrochloride

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)CN4CCCCC4
InChI
InChI=1S/C22H26N2O/c1-22(17-23-14-8-3-9-15-23)19-12-6-7-13-20(19)24(21(22)25)16-18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey
XDCVNPVMSKURFC-UHFFFAOYSA-N
Compound name
1-benzyl-3-methyl-3-(piperidin-1-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 184.0
[M+Na]+ 357.19372 189.6
[M-H]- 333.19722 190.8
[M+NH4]+ 352.23832 199.0
[M+K]+ 373.16766 183.1
[M+H-H2O]+ 317.20176 173.0
[M+HCOO]- 379.20270 199.4
[M+CH3COO]- 393.21835 193.1
[M+Na-2H]- 355.17917 184.6
[M]+ 334.20395 179.9
[M]- 334.20505 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.