CID 46213922

Azd2423

Structural Information

Molecular Formula
C20H29ClFN5O2
SMILES
CC(C)(C)N1CCN[C@H](C1)C(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)F
InChI
InChI=1S/C20H29ClFN5O2/c1-20(2,3)27-7-6-23-17(13-27)18(28)25-8-10-26(11-9-25)19(29)24-14-4-5-15(21)16(22)12-14/h4-5,12,17,23H,6-11,13H2,1-3H3,(H,24,29)/t17-/m1/s1
InChIKey
SRWQVWAIVQXPJY-QGZVFWFLSA-N
Compound name
4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

202
Patents

425.19937 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.20665 200.4
[M+Na]+ 448.18859 208.9
[M+NH4]+ 443.23319 203.8
[M+K]+ 464.16253 204.4
[M-H]- 424.19209 200.5
[M+Na-2H]- 446.17404 203.3
[M]+ 425.19882 201.3
[M]- 425.19992 201.3
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

patents stripe