CID 278296

28360-59-0

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CC4CC(=O)NC(=O)C4
InChI
InChI=1S/C20H23N3O2/c1-13-7-8-18-16(9-13)17(10-14-11-19(24)21-20(25)12-14)22-23(18)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,21,24,25)
InChIKey
PMXKFZZRRJFOJT-UHFFFAOYSA-N
Compound name
4-[(5-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 184.0
[M+Na]+ 360.16824 189.9
[M-H]- 336.17174 188.5
[M+NH4]+ 355.21284 195.1
[M+K]+ 376.14218 182.9
[M+H-H2O]+ 320.17628 173.3
[M+HCOO]- 382.17722 196.1
[M+CH3COO]- 396.19287 192.1
[M+Na-2H]- 358.15369 181.9
[M]+ 337.17847 177.9
[M]- 337.17957 177.9
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.