CID 36439

Brn 0504031

Structural Information

Molecular Formula
C28H32ClN3O
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C28H32ClN3O/c1-4-31(5-2)20-19-28(23-11-7-6-8-12-23)25-13-9-10-14-26(25)32(27(28)33)30(3)21-22-15-17-24(29)18-16-22/h6-18H,4-5,19-21H2,1-3H3
InChIKey
SSMPVWCSQTZZNU-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl-methylamino]-3-[2-(diethylamino)ethyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.2234 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.23068 215.6
[M+Na]+ 484.21262 230.2
[M+NH4]+ 479.25722 225.4
[M+K]+ 500.18656 219.3
[M-H]- 460.21612 223.8
[M+Na-2H]- 482.19807 225.8
[M]+ 461.22285 220.6
[M]- 461.22395 220.6
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.