CID 363116

Nsc627684

Structural Information

Molecular Formula
C24H24N2O6
SMILES
CCOC(=O)C(CC1=C(NC2=CC=CC=C21)C=O)(C(=O)OCC)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H24N2O6/c1-3-31-22(29)24(23(30)32-4-2,26-21(28)16-10-6-5-7-11-16)14-18-17-12-8-9-13-19(17)25-20(18)15-27/h5-13,15,25H,3-4,14H2,1-2H3,(H,26,28)
InChIKey
INPONGOTQJDKST-UHFFFAOYSA-N
Compound name
diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.16342 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.17070 203.9
[M+Na]+ 459.15264 208.1
[M-H]- 435.15614 208.7
[M+NH4]+ 454.19724 212.9
[M+K]+ 475.12658 204.7
[M+H-H2O]+ 419.16068 195.0
[M+HCOO]- 481.16162 222.1
[M+CH3COO]- 495.17727 227.1
[M+Na-2H]- 457.13809 205.2
[M]+ 436.16287 209.0
[M]- 436.16397 209.0
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.