CID 4444926

94312-40-0

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CCOC(=O)C(CC1=CNC2=CC=CC(=C21)CC#N)(C(=O)OCC)NC=O
InChI
InChI=1S/C19H21N3O5/c1-3-26-17(24)19(22-12-23,18(25)27-4-2)10-14-11-21-15-7-5-6-13(8-9-20)16(14)15/h5-7,11-12,21H,3-4,8,10H2,1-2H3,(H,22,23)
InChIKey
FUNKHGNEOYWJTP-UHFFFAOYSA-N
Compound name
diethyl 2-[[4-(cyanomethyl)-1H-indol-3-yl]methyl]-2-formamidopropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.14813 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 186.9
[M+Na]+ 394.13735 194.4
[M+NH4]+ 389.18195 187.1
[M+K]+ 410.11129 189.0
[M-H]- 370.14085 177.8
[M+Na-2H]- 392.12280 185.8
[M]+ 371.14758 184.1
[M]- 371.14868 184.1
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.