CID 11717135

Chembl578976

Structural Information

Molecular Formula
C18H18FN3O3
SMILES
C1=CC(=CC=C1CN2C=CC3=CC(=NC=C32)C(=O)N(CCCO)O)F
InChI
InChI=1S/C18H18FN3O3/c19-15-4-2-13(3-5-15)12-21-8-6-14-10-16(20-11-17(14)21)18(24)22(25)7-1-9-23/h2-6,8,10-11,23,25H,1,7,9,12H2
InChIKey
HIIHFGJAMHWFDH-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

343.1332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14048 178.1
[M+Na]+ 366.12242 185.9
[M-H]- 342.12592 181.1
[M+NH4]+ 361.16702 190.4
[M+K]+ 382.09636 181.0
[M+H-H2O]+ 326.13046 168.0
[M+HCOO]- 388.13140 197.6
[M+CH3COO]- 402.14705 211.7
[M+Na-2H]- 364.10787 180.6
[M]+ 343.13265 180.4
[M]- 343.13375 180.4
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