CID 44206133

Ab-chminaca

Structural Information

Molecular Formula
C20H28N4O2
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3
InChI
InChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m0/s1
InChIKey
KJNZIEGLNLCWTQ-KRWDZBQOSA-N
Compound name
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

36
Patents

356.22122 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22850 185.8
[M+Na]+ 379.21044 193.6
[M+NH4]+ 374.25504 191.2
[M+K]+ 395.18438 191.0
[M-H]- 355.21394 187.9
[M+Na-2H]- 377.19589 188.9
[M]+ 356.22067 186.9
[M]- 356.22177 186.9
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