CID 90658129

Caatrp

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC(=O)C1=C([C@@H](NC1=O)CC2=CNC3=CC=CC=C32)O
InChI
InChI=1S/C15H14N2O3/c1-8(18)13-14(19)12(17-15(13)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7,12,16,19H,6H2,1H3,(H,17,20)/t12-/m0/s1
InChIKey
FGDVVSQPCDILGJ-LBPRGKRZSA-N
Compound name
(2S)-4-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.9
[M+Na]+ 293.08965 170.5
[M-H]- 269.09315 163.5
[M+NH4]+ 288.13425 177.5
[M+K]+ 309.06359 164.6
[M+H-H2O]+ 253.09769 154.5
[M+HCOO]- 315.09863 179.2
[M+CH3COO]- 329.11428 172.3
[M+Na-2H]- 291.07510 160.9
[M]+ 270.09988 160.3
[M]- 270.10098 160.3
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.