CID 361132

Nsc623958

Structural Information

Molecular Formula
C20H24N2O6
SMILES
CCOC(=O)C(=CNC(CC1=CNC2=CC=CC=C21)C(=O)OC)C(=O)OCC
InChI
InChI=1S/C20H24N2O6/c1-4-27-18(23)15(19(24)28-5-2)12-22-17(20(25)26-3)10-13-11-21-16-9-7-6-8-14(13)16/h6-9,11-12,17,21-22H,4-5,10H2,1-3H3
InChIKey
SJWOGAJOJUFWFM-UHFFFAOYSA-N
Compound name
diethyl 2-[[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.16342 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17070 192.7
[M+Na]+ 411.15264 196.1
[M-H]- 387.15614 193.9
[M+NH4]+ 406.19724 203.9
[M+K]+ 427.12658 194.2
[M+H-H2O]+ 371.16068 184.6
[M+HCOO]- 433.16162 210.7
[M+CH3COO]- 447.17727 218.7
[M+Na-2H]- 409.13809 190.8
[M]+ 388.16287 198.0
[M]- 388.16397 198.0
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.