CID 10138259

452105-23-6

Structural Information

Molecular Formula
C23H27FN4O4
SMILES
CC1=C(NC(=C1C(=O)NC[C@@H](CN2CCOCC2)O)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O
InChI
InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
InChIKey
CTNPALGJUAXMMC-PMFHANACSA-N
Compound name
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

368
Patents

442.20163 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.20891 208.8
[M+Na]+ 465.19085 215.3
[M+NH4]+ 460.23545 211.1
[M+K]+ 481.16479 215.6
[M-H]- 441.19435 209.3
[M+Na-2H]- 463.17630 207.5
[M]+ 442.20108 209.0
[M]- 442.20218 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

literature stripe

Patent stripe

patents stripe