CID 270050

27945-38-6

Structural Information

Molecular Formula
C19H21N3O2
SMILES
C1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CC4CC(=O)NC(=O)C4
InChI
InChI=1S/C19H21N3O2/c23-18-11-13(12-19(24)20-18)10-16-15-8-4-5-9-17(15)22(21-16)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,20,23,24)
InChIKey
DQNVBFVHKNIFFB-UHFFFAOYSA-N
Compound name
4-[(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

323.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 179.0
[M+Na]+ 346.15262 184.3
[M-H]- 322.15612 183.2
[M+NH4]+ 341.19722 190.3
[M+K]+ 362.12656 177.5
[M+H-H2O]+ 306.16066 168.1
[M+HCOO]- 368.16160 191.3
[M+CH3COO]- 382.17725 187.1
[M+Na-2H]- 344.13807 178.1
[M]+ 323.16285 172.1
[M]- 323.16395 172.1
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.