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

7
Patents

338.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.170336 183.0
[M+Na]+ 361.152278 191.1
[M-H]- 337.155784 185.3
[M+NH4]+ 356.196883 196.9
[M+K]+ 377.126218 184.2
[M+H-H2O]+ 321.160320 176.3
[M+HCOO]- 383.161261 198.7
[M+CH3COO]- 397.176911 206.7
[M+Na-2H]- 359.137726 178.5
[M]+ 338.16251142 183.0
[M]- 338.16360858 183.0
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.