CID 9661975

Stk965555

Structural Information

Molecular Formula
C20H19N3O4S
SMILES
COC1=C(C=C(C=C1)/C=N/NC2=NC(=CS2)C3=CC4=C(C=C3)OCCO4)OC
InChI
InChI=1S/C20H19N3O4S/c1-24-16-5-3-13(9-18(16)25-2)11-21-23-20-22-15(12-28-20)14-4-6-17-19(10-14)27-8-7-26-17/h3-6,9-12H,7-8H2,1-2H3,(H,22,23)/b21-11+
InChIKey
LGPWYAMQKHORAH-SRZZPIQSSA-N
Compound name
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.10962 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.11690 191.3
[M+Na]+ 420.09884 198.9
[M-H]- 396.10234 203.4
[M+NH4]+ 415.14344 201.7
[M+K]+ 436.07278 196.7
[M+H-H2O]+ 380.10688 182.2
[M+HCOO]- 442.10782 209.4
[M+CH3COO]- 456.12347 201.9
[M+Na-2H]- 418.08429 194.9
[M]+ 397.10907 197.4
[M]- 397.11017 197.4
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.