CID 38640

Brn 0466648

Structural Information

Molecular Formula
C29H34ClN3O2
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=C(C=C(C=C3)Cl)OC)C4=CC=CC=C4
InChI
InChI=1S/C29H34ClN3O2/c1-5-32(6-2)19-18-29(23-12-8-7-9-13-23)25-14-10-11-15-26(25)33(28(29)34)31(3)21-22-16-17-24(30)20-27(22)35-4/h7-17,20H,5-6,18-19,21H2,1-4H3
InChIKey
RCGAYODDGQITRJ-UHFFFAOYSA-N
Compound name
1-[(4-chloro-2-methoxyphenyl)methyl-methylamino]-3-[2-(diethylamino)ethyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.23395 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.24123 222.6
[M+Na]+ 514.22317 236.8
[M+NH4]+ 509.26777 231.7
[M+K]+ 530.19711 226.5
[M-H]- 490.22667 230.4
[M+Na-2H]- 512.20862 231.9
[M]+ 491.23340 227.5
[M]- 491.23450 227.5
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.