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

32
Patents

344.22122 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22850 187.4
[M+Na]+ 367.21044 192.7
[M-H]- 343.21394 188.8
[M+NH4]+ 362.25504 200.3
[M+K]+ 383.18438 189.3
[M+H-H2O]+ 327.21848 179.2
[M+HCOO]- 389.21942 205.7
[M+CH3COO]- 403.23507 219.5
[M+Na-2H]- 365.19589 188.1
[M]+ 344.22067 190.1
[M]- 344.22177 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.