CID 11618115

Schembl4805048

Structural Information

Molecular Formula
C22H17F2N3O2
SMILES
C1=CC(=CC=C1CC2=CN(C3=CC(=NC=C32)C(=O)NO)CC4=CC=C(C=C4)F)F
InChI
InChI=1S/C22H17F2N3O2/c23-17-5-1-14(2-6-17)9-16-13-27(12-15-3-7-18(24)8-4-15)21-10-20(22(28)26-29)25-11-19(16)21/h1-8,10-11,13,29H,9,12H2,(H,26,28)
InChIKey
SIGITWWYCKNQRH-UHFFFAOYSA-N
Compound name
1,3-bis[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

393.12888 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13616 191.6
[M+Na]+ 416.11810 201.2
[M-H]- 392.12160 196.9
[M+NH4]+ 411.16270 201.9
[M+K]+ 432.09204 193.2
[M+H-H2O]+ 376.12614 179.5
[M+HCOO]- 438.12708 210.6
[M+CH3COO]- 452.14273 201.0
[M+Na-2H]- 414.10355 193.2
[M]+ 393.12833 191.7
[M]- 393.12943 191.7
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