CID 123132009

Adamantyl-thpinaca

Structural Information

Molecular Formula
C24H31N3O2
SMILES
C1COCCC1CN2C3=CC=CC=C3C(=N2)C(=O)NC4C5CC6CC(C5)CC4C6
InChI
InChI=1S/C24H31N3O2/c28-24(25-22-18-10-16-9-17(12-18)13-19(22)11-16)23-20-3-1-2-4-21(20)27(26-23)14-15-5-7-29-8-6-15/h1-4,15-19,22H,5-14H2,(H,25,28)
InChIKey
XFZLBNDGZVRJNJ-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

393.24164 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 177.9
[M+Na]+ 416.230858 176.4
[M-H]- 392.234364 176.8
[M+NH4]+ 411.275463 191.4
[M+K]+ 432.204798 172.2
[M+H-H2O]+ 376.238900 166.6
[M+HCOO]- 438.239841 178.7
[M+CH3COO]- 452.255491 182.4
[M+Na-2H]- 414.216306 182.5
[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

No literature data available for this compound.

Patent stripe

patents stripe