CID 500084

5-chloro-3-(2-(1,4,5-cyclohexatrien-1-yl)-2-oxo-1-phenylethyl)-3-hydroxy-7-methyl-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C23H18ClNO3
SMILES
CC1=CC(=CC2=C1NC(=O)C2(C(C3=CC=CC=C3)C(=O)C4=CCC=C=C4)O)Cl
InChI
InChI=1S/C23H18ClNO3/c1-14-12-17(24)13-18-20(14)25-22(27)23(18,28)19(15-8-4-2-5-9-15)21(26)16-10-6-3-7-11-16/h2-5,8-13,19,28H,6H2,1H3,(H,25,27)
InChIKey
LWLQRDQENYMWAO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.09753 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10481 192.2
[M+Na]+ 414.08675 200.6
[M-H]- 390.09025 199.3
[M+NH4]+ 409.13135 206.0
[M+K]+ 430.06069 192.6
[M+H-H2O]+ 374.09479 184.2
[M+HCOO]- 436.09573 204.0
[M+CH3COO]- 450.11138 201.5
[M+Na-2H]- 412.07220 191.8
[M]+ 391.09698 192.8
[M]- 391.09808 192.8
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.