CID 121268274

Tk216

Structural Information

Molecular Formula
C19H15Cl2NO3
SMILES
C1CC1C2=CC=C(C=C2)C(=O)CC3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O
InChI
InChI=1S/C19H15Cl2NO3/c20-13-7-8-14(21)17-16(13)19(25,18(24)22-17)9-15(23)12-5-3-11(4-6-12)10-1-2-10/h3-8,10,25H,1-2,9H2,(H,22,24)
InChIKey
ZWHNLSHDLKIXOG-UHFFFAOYSA-N
Compound name
4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

375.0429 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.05018 177.5
[M+Na]+ 398.03212 188.9
[M-H]- 374.03562 184.2
[M+NH4]+ 393.07672 188.4
[M+K]+ 414.00606 180.4
[M+H-H2O]+ 358.04016 172.4
[M+HCOO]- 420.04110 185.6
[M+CH3COO]- 434.05675 187.4
[M+Na-2H]- 396.01757 177.5
[M]+ 375.04235 182.4
[M]- 375.04345 182.4
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

patents stripe