CID 137700313

Achminaca

Structural Information

Molecular Formula
C25H33N3O
SMILES
C1CCC(CC1)CN2C3=CC=CC=C3C(=N2)C(=O)NC45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C25H33N3O/c29-24(26-25-13-18-10-19(14-25)12-20(11-18)15-25)23-21-8-4-5-9-22(21)28(27-23)16-17-6-2-1-3-7-17/h4-5,8-9,17-20H,1-3,6-7,10-16H2,(H,26,29)
InChIKey
ACFKPINHOINOFB-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(cyclohexylmethyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.26236 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.26964 181.0
[M+Na]+ 414.25158 179.5
[M-H]- 390.25508 179.0
[M+NH4]+ 409.29618 197.6
[M+K]+ 430.22552 173.1
[M+H-H2O]+ 374.25962 168.2
[M+HCOO]- 436.26056 182.2
[M+CH3COO]- 450.27621 185.1
[M+Na-2H]- 412.23703 185.9
[M]+ 391.26181 176.9
[M]- 391.26291 176.9
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.