CID 129532613

5f-cumyl-p7aica

Structural Information

Molecular Formula
C22H26FN3O
SMILES
CC(C)(C1=CC=CC=C1)NC(=O)C2=CN(C3=C2C=CC=N3)CCCCCF
InChI
InChI=1S/C22H26FN3O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,13,15H2,1-2H3,(H,25,27)
InChIKey
MXJYOUMYJGNQEY-UHFFFAOYSA-N
Compound name
1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2
Patents

367.206 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.21328 191.5
[M+Na]+ 390.19522 198.2
[M-H]- 366.19872 194.9
[M+NH4]+ 385.23982 203.6
[M+K]+ 406.16916 191.8
[M+H-H2O]+ 350.20326 180.9
[M+HCOO]- 412.20420 210.1
[M+CH3COO]- 426.21985 219.9
[M+Na-2H]- 388.18067 194.7
[M]+ 367.20545 193.8
[M]- 367.20655 193.8
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