CID 454639

3-[(1-methylsulfonyl-4-piperidyl)methyl]-1-phenyl-indolin-2-one

Structural Information

Molecular Formula
C21H24N2O3S
SMILES
CS(=O)(=O)N1CCC(CC1)CC2C3=CC=CC=C3N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O3S/c1-27(25,26)22-13-11-16(12-14-22)15-19-18-9-5-6-10-20(18)23(21(19)24)17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3
InChIKey
NHCZDAVXLQTZQH-UHFFFAOYSA-N
Compound name
3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-phenyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.15076 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15804 192.7
[M+Na]+ 407.13998 199.5
[M-H]- 383.14348 200.1
[M+NH4]+ 402.18458 204.6
[M+K]+ 423.11392 193.6
[M+H-H2O]+ 367.14802 183.9
[M+HCOO]- 429.14896 203.0
[M+CH3COO]- 443.16461 201.5
[M+Na-2H]- 405.12543 191.6
[M]+ 384.15021 192.2
[M]- 384.15131 192.2
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.