CID 3055562

Ethamidindole

Structural Information

Molecular Formula
C24H27N5O2
SMILES
C1CN2CC3=C(CC2CN1CCNC(=O)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=C5N3
InChI
InChI=1S/C24H27N5O2/c25-23(30)16-5-7-17(8-6-16)24(31)26-9-10-28-11-12-29-15-22-20(13-18(29)14-28)19-3-1-2-4-21(19)27-22/h1-8,18,27H,9-15H2,(H2,25,30)(H,26,31)
InChIKey
MIFGBHJILJHNJS-UHFFFAOYSA-N
Compound name
4-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

417.21646 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22374 200.2
[M+Na]+ 440.20568 210.9
[M+NH4]+ 435.25028 206.5
[M+K]+ 456.17962 205.9
[M-H]- 416.20918 203.7
[M+Na-2H]- 438.19113 203.2
[M]+ 417.21591 202.3
[M]- 417.21701 202.3
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

patents stripe