CID 36449

Brn 0504162

Structural Information

Molecular Formula
C29H35N3O2
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C29H35N3O2/c1-5-31(6-2)21-20-29(24-12-8-7-9-13-24)26-14-10-11-15-27(26)32(28(29)33)30(3)22-23-16-18-25(34-4)19-17-23/h7-19H,5-6,20-22H2,1-4H3
InChIKey
WANFSXZRKANYSW-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-[(4-methoxyphenyl)methyl-methylamino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.27292 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.28020 216.2
[M+Na]+ 480.26214 229.1
[M+NH4]+ 475.30674 224.9
[M+K]+ 496.23608 219.6
[M-H]- 456.26564 223.8
[M+Na-2H]- 478.24759 225.7
[M]+ 457.27237 220.4
[M]- 457.27347 220.4
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.