CID 11682772

Schembl4805939

Structural Information

Molecular Formula
C21H22F2N4O2
SMILES
C1CCN(CC1)CC2=CN(C3=CN=C(C=C32)C(=O)NO)CC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C21H22F2N4O2/c22-16-5-4-14(18(23)8-16)12-27-13-15(11-26-6-2-1-3-7-26)17-9-19(21(28)25-29)24-10-20(17)27/h4-5,8-10,13,29H,1-3,6-7,11-12H2,(H,25,28)
InChIKey
UYZOPDZLEVPBAV-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

400.17108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17836 194.1
[M+Na]+ 423.16030 201.1
[M-H]- 399.16380 196.9
[M+NH4]+ 418.20490 202.5
[M+K]+ 439.13424 193.5
[M+H-H2O]+ 383.16834 181.2
[M+HCOO]- 445.16928 207.8
[M+CH3COO]- 459.18493 201.5
[M+Na-2H]- 421.14575 193.3
[M]+ 400.17053 190.1
[M]- 400.17163 190.1
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