CID 489144

(2z)-5-butyl-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-thiazolidin-4-one

Structural Information

Molecular Formula
C21H24N2O3S
SMILES
CCCCC1C(=O)N(C(=NC2=CC=CC=C2OC)S1)C3=CC=CC=C3OC
InChI
InChI=1S/C21H24N2O3S/c1-4-5-14-19-20(24)23(16-11-7-9-13-18(16)26-3)21(27-19)22-15-10-6-8-12-17(15)25-2/h6-13,19H,4-5,14H2,1-3H3
InChIKey
JRNFHKMZJZLQDF-UHFFFAOYSA-N
Compound name
5-butyl-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.15076 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15804 192.6
[M+Na]+ 407.13998 200.1
[M-H]- 383.14348 202.6
[M+NH4]+ 402.18458 206.0
[M+K]+ 423.11392 195.0
[M+H-H2O]+ 367.14802 183.3
[M+HCOO]- 429.14896 211.2
[M+CH3COO]- 443.16461 222.6
[M+Na-2H]- 405.12543 189.9
[M]+ 384.15021 198.2
[M]- 384.15131 198.2
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.