CID 11843533

(5e)-1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]imidazolidin-4-one

Structural Information

Molecular Formula
C33H38N2O8S
SMILES
COC1=C(C=C(C=C1)CCN2/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)N(C2=S)CCC4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C33H38N2O8S/c1-37-25-10-8-21(17-27(25)39-3)12-14-34-24(16-23-19-29(41-5)31(43-7)30(20-23)42-6)32(36)35(33(34)44)15-13-22-9-11-26(38-2)28(18-22)40-4/h8-11,16-20H,12-15H2,1-7H3/b24-16+
InChIKey
QCMMNBDBLCAEJU-LFVJCYFKSA-N
Compound name
(5E)-1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.23486 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.24214 251.6
[M+Na]+ 645.22408 257.7
[M-H]- 621.22758 262.0
[M+NH4]+ 640.26868 253.0
[M+K]+ 661.19802 253.3
[M+H-H2O]+ 605.23212 239.7
[M+HCOO]- 667.23306 263.8
[M+CH3COO]- 681.24871 266.1
[M+Na-2H]- 643.20953 242.1
[M]+ 622.23431 265.8
[M]- 622.23541 265.8
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.