CID 36451

Brn 0504163

Structural Information

Molecular Formula
C29H35N3OS
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=C(C=C3)SC)C4=CC=CC=C4
InChI
InChI=1S/C29H35N3OS/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
JNLOVIMNSJOLOR-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.2501 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.25738 218.7
[M+Na]+ 496.23932 223.7
[M-H]- 472.24282 229.5
[M+NH4]+ 491.28392 231.0
[M+K]+ 512.21326 218.0
[M+H-H2O]+ 456.24736 207.9
[M+HCOO]- 518.24830 235.3
[M+CH3COO]- 532.26395 247.5
[M+Na-2H]- 494.22477 216.9
[M]+ 473.24955 224.9
[M]- 473.25065 224.9
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.