CID 15957086

1h-pyrrolo[2,3-c]pyridine-5-carboxamide,3-[(2-ethoxyethoxy)methyl]-1-[(4-fluorophenyl)methyl]-n-methoxy-

Structural Information

Molecular Formula
C21H24FN3O4
SMILES
CCOCCOCC1=CN(C2=CN=C(C=C21)C(=O)NOC)CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H24FN3O4/c1-3-28-8-9-29-14-16-13-25(12-15-4-6-17(22)7-5-15)20-11-23-19(10-18(16)20)21(26)24-27-2/h4-7,10-11,13H,3,8-9,12,14H2,1-2H3,(H,24,26)
InChIKey
FOTJOVLOTSCJFY-UHFFFAOYSA-N
Compound name
3-(2-ethoxyethoxymethyl)-1-[(4-fluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

401.17508 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18236 194.6
[M+Na]+ 424.16430 202.4
[M-H]- 400.16780 198.6
[M+NH4]+ 419.20890 205.4
[M+K]+ 440.13824 197.9
[M+H-H2O]+ 384.17234 183.4
[M+HCOO]- 446.17328 215.7
[M+CH3COO]- 460.18893 225.2
[M+Na-2H]- 422.14975 196.5
[M]+ 401.17453 202.0
[M]- 401.17563 202.0
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

patents stripe