CID 99787644

Refchem:828042

Structural Information

Molecular Formula
C22H23N3O2
SMILES
C1CCC2=C(C1)C(=NN2)CC(=O)NC3=C(C=CC(=C3)CC4=CC=CC=C4)O
InChI
InChI=1S/C22H23N3O2/c26-21-11-10-16(12-15-6-2-1-3-7-15)13-20(21)23-22(27)14-19-17-8-4-5-9-18(17)24-25-19/h1-3,6-7,10-11,13,26H,4-5,8-9,12,14H2,(H,23,27)(H,24,25)
InChIKey
MOEAQMFWWCRRMA-UHFFFAOYSA-N
Compound name
N-(5-benzyl-2-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 185.6
[M+Na]+ 384.168238 189.9
[M-H]- 360.171744 190.4
[M+NH4]+ 379.212843 195.8
[M+K]+ 400.142178 182.7
[M+H-H2O]+ 344.176280 175.5
[M+HCOO]- 406.177221 201.2
[M+CH3COO]- 420.192871 193.4
[M+Na-2H]- 382.153686 186.8
[M]+ 361.17847142 180.9
[M]- 361.17956858 180.9
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.