CID 36495

33456-22-3

Structural Information

Molecular Formula
C27H31N3O
SMILES
CN(C)CCC1(C2=CC=CC=C2N(C1=O)N(C)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H31N3O/c1-28(2)21-19-27(23-14-8-5-9-15-23)24-16-10-11-17-25(24)30(26(27)31)29(3)20-18-22-12-6-4-7-13-22/h4-17H,18-21H2,1-3H3
InChIKey
NEVKWTGHBMPLGE-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-1-[methyl(2-phenylethyl)amino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.2467 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.25398 204.5
[M+Na]+ 436.23592 209.1
[M-H]- 412.23942 215.5
[M+NH4]+ 431.28052 218.2
[M+K]+ 452.20986 204.2
[M+H-H2O]+ 396.24396 192.9
[M+HCOO]- 458.24490 226.7
[M+CH3COO]- 472.26055 213.7
[M+Na-2H]- 434.22137 205.6
[M]+ 413.24615 207.0
[M]- 413.24725 207.0
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.