CID 129532625

1400742-48-4

Structural Information

Molecular Formula
C24H31N3O2
SMILES
C1COCCC1CN2C3=CC=CC=C3C(=N2)C(=O)NC45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C24H31N3O2/c28-23(25-24-12-17-9-18(13-24)11-19(10-17)14-24)22-20-3-1-2-4-21(20)27(26-22)15-16-5-7-29-8-6-16/h1-4,16-19H,5-15H2,(H,25,28)
InChIKey
WFDRVDUEMGJILX-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.24164 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 178.0
[M+Na]+ 416.230858 177.1
[M-H]- 392.234364 176.8
[M+NH4]+ 411.275463 193.2
[M+K]+ 432.204798 172.6
[M+H-H2O]+ 376.238900 165.5
[M+HCOO]- 438.239841 178.8
[M+CH3COO]- 452.255491 182.6
[M+Na-2H]- 414.216306 183.9
[M]+ 393.24109142 175.6
[M]- 393.24218858 175.6
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.