CID 230288

Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate

Structural Information

Molecular Formula
C19H24N2O5
SMILES
CCOC(=O)C(CC1=CN(C2=CC=CC=C21)C)(C(=O)OCC)NC(=O)C
InChI
InChI=1S/C19H24N2O5/c1-5-25-17(23)19(20-13(3)22,18(24)26-6-2)11-14-12-21(4)16-10-8-7-9-15(14)16/h7-10,12H,5-6,11H2,1-4H3,(H,20,22)
InChIKey
IJIOJNJNMFIAFL-UHFFFAOYSA-N
Compound name
diethyl 2-acetamido-2-[(1-methylindol-3-yl)methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.16852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17580 186.2
[M+Na]+ 383.15774 192.3
[M-H]- 359.16124 189.5
[M+NH4]+ 378.20234 200.1
[M+K]+ 399.13168 190.6
[M+H-H2O]+ 343.16578 178.9
[M+HCOO]- 405.16672 206.1
[M+CH3COO]- 419.18237 217.1
[M+Na-2H]- 381.14319 187.8
[M]+ 360.16797 193.5
[M]- 360.16907 193.5
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.