CID 49775896

(e)-chloro-(4-methoxyphenyl)-[(4-methoxyphenyl)methylene]-methyl-dispiro[[?]]dione

Structural Information

Molecular Formula
C33H32ClN3O4S
SMILES
CN1C/C(=C\C2=CC=C(C=C2)OC)/C(=O)[C@]3(C1)[C@H]([C@@H]4CSCN4[C@]35C6=C(C=CC(=C6)Cl)NC5=O)C7=CC=C(C=C7)OC
InChI
InChI=1S/C33H32ClN3O4S/c1-36-16-22(14-20-4-9-24(40-2)10-5-20)30(38)32(18-36)29(21-6-11-25(41-3)12-7-21)28-17-42-19-37(28)33(32)26-15-23(34)8-13-27(26)35-31(33)39/h4-15,28-29H,16-19H2,1-3H3,(H,35,39)/b22-14+/t28-,29-,32-,33-/m0/s1
InChIKey
QVAIEPTVSHJCIV-WISXIMKJSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.1802 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.18748 245.8
[M+Na]+ 624.16942 254.9
[M-H]- 600.17292 256.8
[M+NH4]+ 619.21402 257.2
[M+K]+ 640.14336 246.6
[M+H-H2O]+ 584.17746 237.3
[M+HCOO]- 646.17840 246.6
[M+CH3COO]- 660.19405 251.3
[M+Na-2H]- 622.15487 236.1
[M]+ 601.17965 248.4
[M]- 601.18075 248.4
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.