CID 99787644

N-(5-benzyl-2-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1h-indazol-3-yl)acetamide

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]+ 362.18630 185.6
[M+Na]+ 384.16824 189.9
[M-H]- 360.17174 190.4
[M+NH4]+ 379.21284 195.8
[M+K]+ 400.14218 182.7
[M+H-H2O]+ 344.17628 175.5
[M+HCOO]- 406.17722 201.2
[M+CH3COO]- 420.19287 193.4
[M+Na-2H]- 382.15369 186.8
[M]+ 361.17847 180.9
[M]- 361.17957 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.