CID 44225502

Chembl562544

Structural Information

Molecular Formula
C23H23Cl2N3O2
SMILES
CN1CCC(=O)[C@]2(C1)[C@H](CN([C@]23C4=CC=CC=C4NC3=O)C)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C23H23Cl2N3O2/c1-27-10-9-20(29)22(13-27)17(15-8-7-14(24)11-18(15)25)12-28(2)23(22)16-5-3-4-6-19(16)26-21(23)30/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,26,30)/t17-,22+,23+/m1/s1
InChIKey
GEZBWINUHCTROM-VSDWSMLSSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

443.11673 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12401 207.6
[M+Na]+ 466.10595 218.5
[M-H]- 442.10945 213.8
[M+NH4]+ 461.15055 222.8
[M+K]+ 482.07989 208.9
[M+H-H2O]+ 426.11399 197.7
[M+HCOO]- 488.11493 209.7
[M+CH3COO]- 502.13058 215.4
[M+Na-2H]- 464.09140 202.5
[M]+ 443.11618 205.9
[M]- 443.11728 205.9
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

No patent data available for this compound.