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]+ 366.25398 192.1
[M+Na]+ 388.23592 197.3
[M-H]- 364.23942 200.3
[M+NH4]+ 383.28052 208.6
[M+K]+ 404.20986 193.8
[M+H-H2O]+ 348.24396 182.4
[M+HCOO]- 410.24490 214.6
[M+CH3COO]- 424.26055 229.9
[M+Na-2H]- 386.22137 193.2
[M]+ 365.24615 196.0
[M]- 365.24725 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.