CID 76961482

Amedalin, (s)-

Structural Information

Molecular Formula
C19H22N2O
SMILES
C[C@@]1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CCCNC
InChI
InChI=1S/C19H22N2O/c1-19(13-8-14-20-2)16-11-6-7-12-17(16)21(18(19)22)15-9-4-3-5-10-15/h3-7,9-12,20H,8,13-14H2,1-2H3/t19-/m0/s1
InChIKey
HBGWAZBZXJBYQD-IBGZPJMESA-N
Compound name
(3S)-3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 170.4
[M+Na]+ 317.16244 178.4
[M-H]- 293.16594 176.8
[M+NH4]+ 312.20704 189.2
[M+K]+ 333.13638 172.8
[M+H-H2O]+ 277.17048 162.2
[M+HCOO]- 339.17142 192.5
[M+CH3COO]- 353.18707 206.4
[M+Na-2H]- 315.14789 174.6
[M]+ 294.17267 171.4
[M]- 294.17377 171.4
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

No patent data available for this compound.