CID 86280478

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1h-indazole-3-carboxamide

Structural Information

Molecular Formula
C19H28N4O2
SMILES
CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC(C(=O)N)C(C)(C)C
InChI
InChI=1S/C19H28N4O2/c1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h7-8,10-11,16H,5-6,9,12H2,1-4H3,(H2,20,24)(H,21,25)
InChIKey
FWTARAXQGJRQKN-UHFFFAOYSA-N
Compound name
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

34
Patents

344.22122 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.228496 187.4
[M+Na]+ 367.210438 192.7
[M-H]- 343.213944 188.8
[M+NH4]+ 362.255043 200.3
[M+K]+ 383.184378 189.3
[M+H-H2O]+ 327.218480 179.2
[M+HCOO]- 389.219421 205.7
[M+CH3COO]- 403.235071 219.5
[M+Na-2H]- 365.195886 188.1
[M]+ 344.22067142 190.1
[M]- 344.22176858 190.1
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

patents stripe