CID 146261163

Zamzetoclax

Structural Information

Molecular Formula
C38H46ClN5O6S
SMILES
C[C@H]1C/C=C\[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)N=S(=O)(C1)NC(=O)C7=CN(N=C7OC)C)OC
InChI
InChI=1S/C38H46ClN5O6S/c1-24-7-5-9-33(48-3)29-13-10-27(29)19-44-22-38(16-6-8-25-17-28(39)12-14-31(25)38)23-50-34-15-11-26(18-32(34)44)35(45)41-51(47,21-24)42-36(46)30-20-43(2)40-37(30)49-4/h5,9,11-12,14-15,17-18,20,24,27,29,33H,6-8,10,13,16,19,21-23H2,1-4H3,(H,41,42,45,46,47)/b9-5-/t24-,27-,29+,33-,38-,51?/m0/s1
InChIKey
GRGIAFGOQJYTKU-IEWOJIIMSA-N
Compound name
N-[(3'R,4S,6'R,7'S,8'Z,11'S)-7-chloro-7'-methoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

735.2857 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 736.29298 256.6
[M+Na]+ 758.27492 262.6
[M+NH4]+ 753.31952 258.7
[M+K]+ 774.24886 254.9
[M-H]- 734.27842 258.4
[M+Na-2H]- 756.26037 256.3
[M]+ 735.28515 257.5
[M]- 735.28625 257.5
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