CID 216147

2h-indol-2-one, 1,3-dihydro-3-methyl-3-phenyl-1-(1-piperidinylmethyl)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC1(C2=CC=CC=C2N(C1=O)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O/c1-21(17-10-4-2-5-11-17)18-12-6-7-13-19(18)23(20(21)24)16-22-14-8-3-9-15-22/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKey
SVIWCQZMJCTJMJ-UHFFFAOYSA-N
Compound name
3-methyl-3-phenyl-1-(piperidin-1-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 179.6
[M+Na]+ 343.17809 185.7
[M-H]- 319.18159 186.6
[M+NH4]+ 338.22269 195.3
[M+K]+ 359.15203 179.4
[M+H-H2O]+ 303.18613 168.8
[M+HCOO]- 365.18707 195.4
[M+CH3COO]- 379.20272 189.1
[M+Na-2H]- 341.16354 180.7
[M]+ 320.18832 175.2
[M]- 320.18942 175.2
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.