CID 15957085

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

Structural Information

Molecular Formula
C21H24FN3O4
SMILES
CCOCCOCC1=CN(C2=CN=C(C=C21)C(=O)N(C)O)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(2)27/h4-7,10-11,13,27H,3,8-9,12,14H2,1-2H3
InChIKey
IBIXPQPPCXIPOA-UHFFFAOYSA-N
Compound name
3-(2-ethoxyethoxymethyl)-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

401.17508 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18236 195.0
[M+Na]+ 424.16430 202.4
[M-H]- 400.16780 199.1
[M+NH4]+ 419.20890 205.7
[M+K]+ 440.13824 198.5
[M+H-H2O]+ 384.17234 184.0
[M+HCOO]- 446.17328 215.0
[M+CH3COO]- 460.18893 226.1
[M+Na-2H]- 422.14975 195.7
[M]+ 401.17453 201.8
[M]- 401.17563 201.8
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