CID 43035

59496-26-3

Structural Information

Molecular Formula
C23H27N3O4
SMILES
CN(C)CCCN1C(=O)C2[C@@H]3C[C@H](C2C1=O)C(C3)OC(=O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C23H27N3O4/c1-25(2)8-5-9-26-21(27)19-13-10-15(20(19)22(26)28)18(11-13)30-23(29)16-12-24-17-7-4-3-6-14(16)17/h3-4,6-7,12-13,15,18-20,24H,5,8-11H2,1-2H3/t13-,15+,18?,19?,20?/m1/s1
InChIKey
DERUTCGXSAXUIT-GMXYRAMJSA-N
Compound name
[(1R,7R)-4-[3-(dimethylamino)propyl]-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl] 1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.20016 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20744 196.5
[M+Na]+ 432.18938 203.3
[M+NH4]+ 427.23398 202.7
[M+K]+ 448.16332 206.2
[M-H]- 408.19288 196.9
[M+Na-2H]- 430.17483 194.3
[M]+ 409.19961 197.1
[M]- 409.20071 197.1
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.