CID 86273679

Cumyl-thpinaca

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CC(C)(C1=CC=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)CC4CCOCC4
InChI
InChI=1S/C23H27N3O2/c1-23(2,18-8-4-3-5-9-18)24-22(27)21-19-10-6-7-11-20(19)26(25-21)16-17-12-14-28-15-13-17/h3-11,17H,12-16H2,1-2H3,(H,24,27)
InChIKey
HINCNLQQLQFMRD-UHFFFAOYSA-N
Compound name
1-(oxan-4-ylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

377.21033 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.217606 192.0
[M+Na]+ 400.199548 196.4
[M-H]- 376.203054 199.8
[M+NH4]+ 395.244153 201.5
[M+K]+ 416.173488 192.0
[M+H-H2O]+ 360.207590 181.5
[M+HCOO]- 422.208531 207.6
[M+CH3COO]- 436.224181 200.5
[M+Na-2H]- 398.184996 195.3
[M]+ 377.20978142 190.7
[M]- 377.21087858 190.7
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

patents stripe