CID 38636

Brn 0445116

Structural Information

Molecular Formula
C23H31N3O
SMILES
CN(C)CCCCCC1(C2=CC=CC=C2N(C1=O)N(C)C)C3=CC=CC=C3
InChI
InChI=1S/C23H31N3O/c1-24(2)18-12-6-11-17-23(19-13-7-5-8-14-19)20-15-9-10-16-21(20)26(22(23)27)25(3)4/h5,7-10,13-16H,6,11-12,17-18H2,1-4H3
InChIKey
TWJCQWOWUOCBNT-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[5-(dimethylamino)pentyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2467 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.253976 192.1
[M+Na]+ 388.235918 197.3
[M-H]- 364.239424 200.3
[M+NH4]+ 383.280523 208.6
[M+K]+ 404.209858 193.8
[M+H-H2O]+ 348.243960 182.4
[M+HCOO]- 410.244901 214.6
[M+CH3COO]- 424.260551 229.9
[M+Na-2H]- 386.221366 193.2
[M]+ 365.24615142 196.0
[M]- 365.24724858 196.0
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.