CID 15957078

Schembl4804907

Structural Information

Molecular Formula
C22H24FN3O5
SMILES
CC1(OC[C@@H](O1)COCC2=CN(C3=CN=C(C=C32)C(=O)NO)CC4=CC=C(C=C4)F)C
InChI
InChI=1S/C22H24FN3O5/c1-22(2)30-13-17(31-22)12-29-11-15-10-26(9-14-3-5-16(23)6-4-14)20-8-24-19(7-18(15)20)21(27)25-28/h3-8,10,17,28H,9,11-13H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKey
CXEOOLZEKBNUBF-KRWDZBQOSA-N
Compound name
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

429.17 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17728 199.1
[M+Na]+ 452.15922 207.2
[M-H]- 428.16272 207.1
[M+NH4]+ 447.20382 209.1
[M+K]+ 468.13316 204.8
[M+H-H2O]+ 412.16726 190.0
[M+HCOO]- 474.16820 216.0
[M+CH3COO]- 488.18385 226.4
[M+Na-2H]- 450.14467 199.2
[M]+ 429.16945 204.2
[M]- 429.17055 204.2
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

No patent data available for this compound.