CID 11581833

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

Structural Information

Molecular Formula
C20H22FN3O4
SMILES
COCCOCC1=CN(C2=CN=C(C=C21)C(=O)NOC)CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H22FN3O4/c1-26-7-8-28-13-15-12-24(11-14-3-5-16(21)6-4-14)19-10-22-18(9-17(15)19)20(25)23-27-2/h3-6,9-10,12H,7-8,11,13H2,1-2H3,(H,23,25)
InChIKey
YEJHFWQRMMZZDI-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-N-methoxy-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

387.15942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16670 190.1
[M+Na]+ 410.14864 198.3
[M-H]- 386.15214 194.3
[M+NH4]+ 405.19324 201.5
[M+K]+ 426.12258 194.1
[M+H-H2O]+ 370.15668 179.1
[M+HCOO]- 432.15762 211.5
[M+CH3COO]- 446.17327 222.3
[M+Na-2H]- 408.13409 192.5
[M]+ 387.15887 197.2
[M]- 387.15997 197.2
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