CID 102144602

8fst4iag3n

Structural Information

Molecular Formula
C18H25FN4O2
SMILES
CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C18H25FN4O2/c1-12(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H2,20,24)(H,21,25)
InChIKey
WCBYXIBEPFZUBG-UHFFFAOYSA-N
Compound name
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

38
Patents

348.19617 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20345 184.8
[M+Na]+ 371.18539 189.9
[M-H]- 347.18889 184.8
[M+NH4]+ 366.22999 197.2
[M+K]+ 387.15933 186.2
[M+H-H2O]+ 331.19343 175.1
[M+HCOO]- 393.19437 203.0
[M+CH3COO]- 407.21002 220.4
[M+Na-2H]- 369.17084 183.3
[M]+ 348.19562 186.1
[M]- 348.19672 186.1
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

No patent data available for this compound.