CID 54675760

(3z,5s)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrrolidine-2,4-dione(1-)

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CC(=CCC1=C2C(=CC=C1)NC=C2C[C@H]3C(=C(C(=O)N3)C(=O)C)O)C
InChI
InChI=1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,24H,8-9H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKey
MVUXMIXDFMUPLL-INIZCTEOSA-N
Compound name
(2S)-4-acetyl-3-hydroxy-2-[[4-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

338.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 183.1
[M+Na]+ 361.15228 193.3
[M+NH4]+ 356.19688 187.9
[M+K]+ 377.12622 191.9
[M-H]- 337.15578 182.8
[M+Na-2H]- 359.13773 184.6
[M]+ 338.16251 184.0
[M]- 338.16361 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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