CID 3226501

N-[4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide

Structural Information

Molecular Formula
C23H22ClN3O3S
SMILES
CC1CC2=C(N1C(=O)C)C=CC(=C2)C3=C(SC(=N3)NC(=O)COC4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C23H22ClN3O3S/c1-13-10-17-11-16(4-9-20(17)27(13)15(3)28)22-14(2)31-23(26-22)25-21(29)12-30-19-7-5-18(24)6-8-19/h4-9,11,13H,10,12H2,1-3H3,(H,25,26,29)
InChIKey
DXCGJZWYMGVVOL-UHFFFAOYSA-N
Compound name
N-[4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

455.10703 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11431 210.1
[M+Na]+ 478.09625 219.2
[M-H]- 454.09975 219.6
[M+NH4]+ 473.14085 222.5
[M+K]+ 494.07019 212.9
[M+H-H2O]+ 438.10429 202.8
[M+HCOO]- 500.10523 220.7
[M+CH3COO]- 514.12088 219.4
[M+Na-2H]- 476.08170 204.4
[M]+ 455.10648 218.0
[M]- 455.10758 218.0
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.