CID 49775904

(e)-chloro-(2,4-dimethoxyphenyl)-[(2,4-dimethoxyphenyl)methylene]-methyl-dispiro[[?]]dione

Structural Information

Molecular Formula
C35H36ClN3O6S
SMILES
CN1C/C(=C\C2=C(C=C(C=C2)OC)OC)/C(=O)[C@]3(C1)[C@H]([C@@H]4CSCN4[C@]35C6=C(C=CC(=C6)Cl)NC5=O)C7=C(C=C(C=C7)OC)OC
InChI
InChI=1S/C35H36ClN3O6S/c1-38-16-21(12-20-6-8-23(42-2)14-29(20)44-4)32(40)34(18-38)31(25-10-9-24(43-3)15-30(25)45-5)28-17-46-19-39(28)35(34)26-13-22(36)7-11-27(26)37-33(35)41/h6-15,28,31H,16-19H2,1-5H3,(H,37,41)/b21-12+/t28-,31-,34-,35-/m0/s1
InChIKey
LSCBPMZUQDOKCL-UUPXMCAQSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.20135 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.20863 256.5
[M+Na]+ 684.19057 264.9
[M-H]- 660.19407 267.6
[M+NH4]+ 679.23517 265.5
[M+K]+ 700.16451 258.5
[M+H-H2O]+ 644.19861 248.9
[M+HCOO]- 706.19955 256.5
[M+CH3COO]- 720.21520 261.3
[M+Na-2H]- 682.17602 246.5
[M]+ 661.20080 263.2
[M]- 661.20190 263.2
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.