CID 125181240

2qb22hnv5b

Structural Information

Molecular Formula
C19H27FN4O2
SMILES
CC[C@H](C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C19H27FN4O2/c1-3-13(2)16(18(21)25)22-19(26)17-14-9-5-6-10-15(14)24(23-17)12-8-4-7-11-20/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3,(H2,21,25)(H,22,26)/t13-,16-/m0/s1
InChIKey
BGRYUHNKCCAZCH-BBRMVZONSA-N
Compound name
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

362.2118 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.219076 189.4
[M+Na]+ 385.201018 194.0
[M-H]- 361.204524 189.1
[M+NH4]+ 380.245623 201.1
[M+K]+ 401.174958 190.1
[M+H-H2O]+ 345.209060 179.5
[M+HCOO]- 407.210001 207.2
[M+CH3COO]- 421.225651 223.3
[M+Na-2H]- 383.186466 187.3
[M]+ 362.21125142 191.0
[M]- 362.21234858 191.0
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