CID 36500

33456-27-8

Structural Information

Molecular Formula
C28H33N3O
SMILES
CCN(CC1=CC=CC=C1)N2C3=CC=CC=C3C(C2=O)(CCCN(C)C)C4=CC=CC=C4
InChI
InChI=1S/C28H33N3O/c1-4-30(22-23-14-7-5-8-15-23)31-26-19-12-11-18-25(26)28(27(31)32,20-13-21-29(2)3)24-16-9-6-10-17-24/h5-12,14-19H,4,13,20-22H2,1-3H3
InChIKey
RBFWBYHQTHKRMN-UHFFFAOYSA-N
Compound name
1-[benzyl(ethyl)amino]-3-[3-(dimethylamino)propyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.26236 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.26964 208.9
[M+Na]+ 450.25158 213.1
[M-H]- 426.25508 219.7
[M+NH4]+ 445.29618 222.1
[M+K]+ 466.22552 207.9
[M+H-H2O]+ 410.25962 197.1
[M+HCOO]- 472.26056 230.8
[M+CH3COO]- 486.27621 240.3
[M+Na-2H]- 448.23703 209.5
[M]+ 427.26181 211.7
[M]- 427.26291 211.7
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.