CID 6479295

Chembl278443

Structural Information

Molecular Formula
C20H17ClN2O4
SMILES
CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3Cl)O)O
InChI
InChI=1S/C20H17ClN2O4/c1-2-17(24)19-14-9-8-13(11-16(14)23(27)20(19)26)22-18(25)10-7-12-5-3-4-6-15(12)21/h3-11,26-27H,2H2,1H3,(H,22,25)/b10-7+
InChIKey
ZRSXGWBSYHWQPC-JXMROGBWSA-N
Compound name
(E)-3-(2-chlorophenyl)-N-(1,2-dihydroxy-3-propanoylindol-6-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.08768 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09496 188.6
[M+Na]+ 407.07690 198.1
[M-H]- 383.08040 193.5
[M+NH4]+ 402.12150 201.4
[M+K]+ 423.05084 191.0
[M+H-H2O]+ 367.08494 181.7
[M+HCOO]- 429.08588 204.4
[M+CH3COO]- 443.10153 216.4
[M+Na-2H]- 405.06235 188.5
[M]+ 384.08713 193.5
[M]- 384.08823 193.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.