CID 454651

2-indolinone 3,3bis(thiazolme)1ph deriv.

Structural Information

Molecular Formula
C24H21N3OS2
SMILES
CC1=NC(=CS1)CC2(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CC5=CSC(=N5)C
InChI
InChI=1S/C24H21N3OS2/c1-16-25-18(14-29-16)12-24(13-19-15-30-17(2)26-19)21-10-6-7-11-22(21)27(23(24)28)20-8-4-3-5-9-20/h3-11,14-15H,12-13H2,1-2H3
InChIKey
YBBDQFNWPSRSPK-UHFFFAOYSA-N
Compound name
3,3-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1126 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.11988 201.4
[M+Na]+ 454.10182 215.4
[M-H]- 430.10532 214.0
[M+NH4]+ 449.14642 217.6
[M+K]+ 470.07576 208.1
[M+H-H2O]+ 414.10986 195.3
[M+HCOO]- 476.11080 215.3
[M+CH3COO]- 490.12645 212.9
[M+Na-2H]- 452.08727 196.9
[M]+ 431.11205 209.5
[M]- 431.11315 209.5
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.