CID 24883477

5-chloro-n-{4-[(1r)-1,2-dihydroxyethyl]phenyl}-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
C1=CC(=CC=C1[C@H](CO)O)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)/t16-/m0/s1
InChIKey
SHCHFGSUYJUEBR-INIZCTEOSA-N
Compound name
5-chloro-N-[4-[(1R)-1,2-dihydroxyethyl]phenyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.07712 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.084396 172.8
[M+Na]+ 353.066338 181.1
[M-H]- 329.069844 176.0
[M+NH4]+ 348.110943 186.8
[M+K]+ 369.040278 174.0
[M+H-H2O]+ 313.074380 166.3
[M+HCOO]- 375.075321 187.7
[M+CH3COO]- 389.090971 183.0
[M+Na-2H]- 351.051786 175.3
[M]+ 330.07657142 174.2
[M]- 330.07766858 174.2
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

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