CID 129887388

1-(cyclohexylmethyl)-n-(4,4-dimethyl-2-oxotetrahydrofuran-3-yl)-1h-indazole-3-carboxamide

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CC1(COC(=O)C1NC(=O)C2=NN(C3=CC=CC=C32)CC4CCCCC4)C
InChI
InChI=1S/C21H27N3O3/c1-21(2)13-27-20(26)18(21)22-19(25)17-15-10-6-7-11-16(15)24(23-17)12-14-8-4-3-5-9-14/h6-7,10-11,14,18H,3-5,8-9,12-13H2,1-2H3,(H,22,25)
InChIKey
RFCMMGZOXTXBEN-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)-N-(4,4-dimethyl-2-oxooxolan-3-yl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.20523 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.212506 188.1
[M+Na]+ 392.194448 193.8
[M-H]- 368.197954 196.6
[M+NH4]+ 387.239053 202.2
[M+K]+ 408.168388 190.3
[M+H-H2O]+ 352.202490 179.3
[M+HCOO]- 414.203431 204.4
[M+CH3COO]- 428.219081 197.6
[M+Na-2H]- 390.179896 186.6
[M]+ 369.20468142 186.7
[M]- 369.20577858 186.7
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

No patent data available for this compound.