CID 501358

2,4-difluoro-5-(3,5-cis-dimethyl)piperazino-n-(1h-5-indazolyl)benzamide

Structural Information

Molecular Formula
C20H23F2N5O
SMILES
CC1=C(C(CC(=C1F)C(=O)NC2=CC3=C(C=C2)NN=C3)(C)N4CCNCC4)F
InChI
InChI=1S/C20H23F2N5O/c1-12-17(21)15(10-20(2,18(12)22)27-7-5-23-6-8-27)19(28)25-14-3-4-16-13(9-14)11-24-26-16/h3-4,9,11,23H,5-8,10H2,1-2H3,(H,24,26)(H,25,28)
InChIKey
VMQAXEKEWQNZSF-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-5-yl)-3,5-dimethyl-5-piperazin-1-ylcyclohexa-1,3-diene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.18707 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19435 192.4
[M+Na]+ 410.17629 200.0
[M-H]- 386.17979 192.9
[M+NH4]+ 405.22089 201.5
[M+K]+ 426.15023 191.4
[M+H-H2O]+ 370.18433 179.9
[M+HCOO]- 432.18527 202.3
[M+CH3COO]- 446.20092 199.1
[M+Na-2H]- 408.16174 191.8
[M]+ 387.18652 184.7
[M]- 387.18762 184.7
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.