CID 49775900

(e)-chloro-(2-chlorophenyl)-[(2-chlorophenyl)methylene]-methyl-dispiro[[?]]dione

Structural Information

Molecular Formula
C31H26Cl3N3O2S
SMILES
CN1C/C(=C\C2=CC=CC=C2Cl)/C(=O)[C@]3(C1)[C@H]([C@@H]4CSCN4[C@]35C6=C(C=CC(=C6)Cl)NC5=O)C7=CC=CC=C7Cl
InChI
InChI=1S/C31H26Cl3N3O2S/c1-36-14-19(12-18-6-2-4-8-23(18)33)28(38)30(16-36)27(21-7-3-5-9-24(21)34)26-15-40-17-37(26)31(30)22-13-20(32)10-11-25(22)35-29(31)39/h2-13,26-27H,14-17H2,1H3,(H,35,39)/b19-12+/t26-,27-,30-,31-/m0/s1
InChIKey
QQGBYFQSALGSLC-NUOMZPNRSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.0811 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.08838 245.7
[M+Na]+ 632.07032 256.5
[M-H]- 608.07382 254.8
[M+NH4]+ 627.11492 257.7
[M+K]+ 648.04426 246.9
[M+H-H2O]+ 592.07836 236.9
[M+HCOO]- 654.07930 237.3
[M+CH3COO]- 668.09495 250.4
[M+Na-2H]- 630.05577 234.1
[M]+ 609.08055 246.7
[M]- 609.08165 246.7
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.