CID 46937045

5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C[C@@H](C1=CC=CN1)C2=C3C=C(C=CC3=NC2=O)O
InChI
InChI=1S/C14H12N2O2/c1-8(11-3-2-6-15-11)13-10-7-9(17)4-5-12(10)16-14(13)18/h2-8,15,17H,1H3/t8-/m0/s1
InChIKey
VWQVBIPGKIAUGA-QMMMGPOBSA-N
Compound name
5-hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.5
[M+Na]+ 263.07909 163.0
[M-H]- 239.08259 156.6
[M+NH4]+ 258.12369 171.0
[M+K]+ 279.05303 157.9
[M+H-H2O]+ 223.08713 145.8
[M+HCOO]- 285.08807 173.8
[M+CH3COO]- 299.10372 165.4
[M+Na-2H]- 261.06454 155.0
[M]+ 240.08932 153.7
[M]- 240.09042 153.7
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

patents stripe