CID 119025812

5f-amb

Structural Information

Molecular Formula
C19H26FN3O3
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C19H26FN3O3/c1-13(2)16(19(25)26-3)21-18(24)17-14-9-5-6-10-15(14)23(22-17)12-8-4-7-11-20/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKey
SAFXSUZMRLTBMM-INIZCTEOSA-N
Compound name
methyl (2S)-2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

28
Patents

363.19583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20311 188.7
[M+Na]+ 386.18505 194.2
[M-H]- 362.18855 188.9
[M+NH4]+ 381.22965 201.0
[M+K]+ 402.15899 191.0
[M+H-H2O]+ 346.19309 179.0
[M+HCOO]- 408.19403 206.3
[M+CH3COO]- 422.20968 220.1
[M+Na-2H]- 384.17050 187.1
[M]+ 363.19528 193.3
[M]- 363.19638 193.3
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